Methyl 4-benzenesulfonamidobenzoate - CAS 107920-79-6
Catalog: |
BB060011 |
Product Name: |
Methyl 4-benzenesulfonamidobenzoate |
CAS: |
107920-79-6 |
Synonyms: |
Methyl 4-benzenesulfonamidobenzoate; Methyl 4-(phenylsulfonamido)benzoate; methyl 4-(benzenesulfonamido)benzoate; methyl 4-[(phenylsulfonyl)amino]benzoate; Methyl4-(phenylsulfonamido)benzoate |
IUPAC Name: | methyl 4-(benzenesulfonamido)benzoate |
Description: | Methyl 4-benzenesulfonamidobenzoate |
Molecular Weight: | 291.32 |
Molecular Formula: | C14H13NO4S |
Canonical SMILES: | COC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2 |
InChI: | InChI=1S/C14H13NO4S/c1-19-14(16)11-7-9-12(10-8-11)15-20(17,18)13-5-3-2-4-6-13/h2-10,15H,1H3 |
InChI Key: | ZDYHULHEHXQTBN-UHFFFAOYSA-N |
Complexity: | 415 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 291.05652907 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 291.05652907 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 80.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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