2-Benzenesulfonamidobenzoic acid - CAS 34837-67-7
Catalog: |
BB073950 |
Product Name: |
2-Benzenesulfonamidobenzoic acid |
CAS: |
34837-67-7 |
Synonyms: |
2-benzenesulfonamidobenzoic acid; 2-Benzenesulfonylamino-benzoic acid; 2-[(Phenylsulfonyl)amino]benzoic acid; 2-(benzenesulfonamido)benzoic acid; 2-(Phenylsulfonamido)Benzoic Acid; 2-((Phenylsulfonyl)amino)benzoic acid; BENZOIC ACID, 2-((PHENYLSULFONYL)AMINO)- |
IUPAC Name: | 2-(benzenesulfonamido)benzoic acid |
Description: | 2-Benzenesulfonamidobenzoic acid |
Molecular Weight: | 277.3 |
Molecular Formula: | C13H11NO4S |
Canonical SMILES: | C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)O |
InChI: | InChI=1S/C13H11NO4S/c15-13(16)11-8-4-5-9-12(11)14-19(17,18)10-6-2-1-3-7-10/h1-9,14H,(H,15,16) |
InChI Key: | KIAHUXDVSURYKM-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 409 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 277.04087901 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 277.04087901 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 91.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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