2-[(4-chlorophenyl)sulfonylamino]-6-methylbenzoic acid

C14H12ClNO4S — CID 58892095

IUPAC2-[(4-chlorophenyl)sulfonylamino]-6-methylbenzoic acid
SMILESCc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1C(=O)O
InChIInChI=1S/C14H12ClNO4S/c1-9-3-2-4-12(13(9)14(17)18)16-21(19,20)11-7-5-10(15)6-8-11/h2-8,16H,1H3,(H,17,18)
InChIKeyJGOGLWDWOBLMET-UHFFFAOYSA-N
MW325.77 g/mol
LogP3.15
Rot. Bonds4

About 2-[(4-chlorophenyl)sulfonylamino]-6-methylbenzoic acid

2-[(4-chlorophenyl)sulfonylamino]-6-methylbenzoic acid (PubChem CID 58892095) has the molecular formula C14H12ClNO4S and a molecular weight of 325.77 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-6-methylbenzoic acid.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-6-methylbenzoic acid
PubChem CID58892095
Molecular FormulaC14H12ClNO4S
Molecular Weight325.77 g/mol
Exact Mass325.02
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-6-methylbenzoic acid
SMILESCc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1C(=O)O
InChIInChI=1S/C14H12ClNO4S/c1-9-3-2-4-12(13(9)14(17)18)16-21(19,20)11-7-5-10(15)6-8-11/h2-8,16H,1H3,(H,17,18)
InChIKeyJGOGLWDWOBLMET-UHFFFAOYSA-N
XLogP3.15
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.77
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)sulfonylamino]-6-methylbenzoyl chloride
CID 58892097
2-methyl-6-(sulfamoylamino)benzoic acid
CID 114958898
2-[(4-chlorophenyl)sulfonylamino]naphthalene-1-carboxylic acid
CID 10044144
4-chloro-N-(2-hydroxy-6-methylphenyl)benzenesulfonamide
CID 54909900
2-methoxy-6-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 122220864
3-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenesulfonamide
CID 1355590
4-[[2-chloro-6-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 12017243
3,4-dichloro-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 55894997
4-chloro-N-(3-chloro-2-hydroxyphenyl)benzenesulfonamide
CID 78995718
2-methyl-6-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 103847453
4-chloro-N-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 3366097
1-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 16615674

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-6-methylbenzoic acid?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-6-methylbenzoic acid (CID 58892095) is 2-[(4-chlorophenyl)sulfonylamino]-6-methylbenzoic acid.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-6-methylbenzoic acid?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-6-methylbenzoic acid is Cc1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1C(=O)O.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-6-methylbenzoic acid?
The InChIKey is JGOGLWDWOBLMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4S/c1-9-3-2-4-12(13(9)14(17)18)16-21(19,20)11-7-5-10(15)6-8-11/h2-8,16H,1H3,(H,17,18).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-6-methylbenzoic acid?
2-[(4-chlorophenyl)sulfonylamino]-6-methylbenzoic acid has a molecular weight of 325.77 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-6-methylbenzoic acid is sourced from PubChem (CID 58892095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).