Methyl 4-(butane-1-sulfonamido)benzoate - CAS 892878-71-6
Catalog: |
BB075990 |
Product Name: |
Methyl 4-(butane-1-sulfonamido)benzoate |
CAS: |
892878-71-6 |
Synonyms: |
METHYL 4-(BUTANE-1-SULFONAMIDO)BENZOATE; methyl 4-(butylsulfonylamino)benzoate; methyl 4-[(butylsulfonyl)amino]benzoate |
IUPAC Name: | methyl 4-(butylsulfonylamino)benzoate |
Description: | Methyl 4-(butane-1-sulfonamido)benzoate |
Molecular Weight: | 271.33 |
Molecular Formula: | C12H17NO4S |
Canonical SMILES: | CCCCS(=O)(=O)NC1=CC=C(C=C1)C(=O)OC |
InChI: | InChI=1S/C12H17NO4S/c1-3-4-9-18(15,16)13-11-7-5-10(6-8-11)12(14)17-2/h5-8,13H,3-4,9H2,1-2H3 |
InChI Key: | JPOBDMZEQJKVKA-UHFFFAOYSA-N |
Complexity: | 353 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 271.0878292 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 271.0878292 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 80.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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