N-(4-Carboxyphenyl)-p-toluenesulfonamide - CAS 37028-85-6
Catalog: |
BB070521 |
Product Name: |
N-(4-Carboxyphenyl)-p-toluenesulfonamide |
CAS: |
37028-85-6 |
Synonyms: |
4-(4-Methylphenylsulfonamido)benzoic acid; 4-{[(4-methylphenyl)sulfonyl]amino}benzoic acid; N-(4-Carboxyphenyl)-p-toluenesulfonamide; 4-[(4-methylphenyl)sulfonylamino]benzoic acid; 4-(Toluene-4-sulfonylamino)-benzoic acid; 4-([(4-Methylphenyl)sulfonyl]amino)benzoic acid; 4-(p-Toluenesulfonamido)benzoic acid |
IUPAC Name: | 4-[(4-methylphenyl)sulfonylamino]benzoic acid |
Description: | N-(4-Carboxyphenyl)-p-toluenesulfonamide |
Molecular Weight: | 291.32 |
Molecular Formula: | C14H13NO4S |
Canonical SMILES: | CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O |
InChI: | InChI=1S/C14H13NO4S/c1-10-2-8-13(9-3-10)20(18,19)15-12-6-4-11(5-7-12)14(16)17/h2-9,15H,1H3,(H,16,17) |
InChI Key: | ZEUVKKKFDVRMIM-UHFFFAOYSA-N |
Complexity: | 427 |
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: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 291.05652907 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 91.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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