N-[4-(2-Chloroacetyl)phenyl]methanesulfonamide - CAS 64488-52-4
Catalog: |
BB032480 |
Product Name: |
N-[4-(2-Chloroacetyl)phenyl]methanesulfonamide |
CAS: |
64488-52-4 |
Synonyms: |
N-[4-(2-chloro-1-oxoethyl)phenyl]methanesulfonamide; N-[4-(2-chloroacetyl)phenyl]methanesulfonamide |
IUPAC Name: | N-[4-(2-chloroacetyl)phenyl]methanesulfonamide |
Description: | N-[4-(2-Chloroacetyl)phenyl]methanesulfonamide (CAS# 64488-52-4) is a building block used in the synthesis of various compounds. |
Molecular Weight: | 247.70 |
Molecular Formula: | C9H10ClNO3S |
Canonical SMILES: | CS(=O)(=O)NC1=CC=C(C=C1)C(=O)CCl |
InChI: | InChI=1S/C9H10ClNO3S/c1-15(13,14)11-8-4-2-7(3-5-8)9(12)6-10/h2-5,11H,6H2,1H3 |
InChI Key: | DRQKKEYKSSAVTO-UHFFFAOYSA-N |
Boiling Point: | 410.4 °C at 760 mmHg |
Density: | 1.433 g/cm3 |
MDL: | MFCD00144999 |
LogP: | 2.63340 |
GHS Hazard Statement: | H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
AU-2004238241-A1 | 1- (2h-pyrazol -3-yl) -3yl) {4-`1- (benzoyl) -piperidin-4-ylmethyl!-phenyl}-urea derivatives and related compounds as inhbitors of p38 kinase and/or TNF inhibitors for the treatment of imflammations | 20030506 |
AU-2010236021-A1 | 1-(2H-pyrazol-3-yl) -3 - {4-'1-(benzoyl)-piperidin-4-ylmethyl-phenyl}-urea derivatives and related compounds as inhibitors of P38 kinase and/or TNF inhibitors for the treatment of inflammations | 20030506 |
CA-2524043-C | 1-(2h-pyrazol-3-yl)-3-{4-'1-(benzoyl)-piperidin-4-ylmethyl!-phenyl}-urea derivatives and related compounds as inhibitors of p38 kinase and/or tnf inhibitors for the treatment of inflammations | 20030506 |
DE-602004003806-T2 | 1- (2H-PYRAZOL-3-YL) -3-ä4-Ä1- (BENZOYL) -PIPERIDIN-4-YLMETHYLÜ-PHENYLU-UREA DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE P38 KINASE AND / OR TNF FOR THE TREATMENT OF INFLAMMATION | 20030506 |
EP-1622610-A1 | 1-(2h-pyrazol-3-yl)-3- 4-[1-(benzoyl)-piperidin-4-ylmethyl]-phenyl -urea derivatives and related compounds as inhibitors of p38 kinase and/or tnf inhibitors for the treatment of inflammations | 20030506 |
Complexity: | 315 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.0069920 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.0069920 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 71.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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