2-[(2-chlorophenyl)sulfonylamino]-5-methylbenzoic acid

C14H12ClNO4S — CID 28970995

IUPAC2-[(2-chlorophenyl)sulfonylamino]-5-methylbenzoic acid
SMILESCc1ccc(NS(=O)(=O)c2ccccc2Cl)c(C(=O)O)c1
InChIInChI=1S/C14H12ClNO4S/c1-9-6-7-12(10(8-9)14(17)18)16-21(19,20)13-5-3-2-4-11(13)15/h2-8,16H,1H3,(H,17,18)
InChIKeyBZQHPRCTOGQFIF-UHFFFAOYSA-N
MW325.77 g/mol
LogP3.15
Rot. Bonds4

About 2-[(2-chlorophenyl)sulfonylamino]-5-methylbenzoic acid

2-[(2-chlorophenyl)sulfonylamino]-5-methylbenzoic acid (PubChem CID 28970995) has the molecular formula C14H12ClNO4S and a molecular weight of 325.77 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)sulfonylamino]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[(2-chlorophenyl)sulfonylamino]-5-methylbenzoic acid
PubChem CID28970995
Molecular FormulaC14H12ClNO4S
Molecular Weight325.77 g/mol
Exact Mass325.02
IUPAC Name2-[(2-chlorophenyl)sulfonylamino]-5-methylbenzoic acid
SMILESCc1ccc(NS(=O)(=O)c2ccccc2Cl)c(C(=O)O)c1
InChIInChI=1S/C14H12ClNO4S/c1-9-6-7-12(10(8-9)14(17)18)16-21(19,20)13-5-3-2-4-11(13)15/h2-8,16H,1H3,(H,17,18)
InChIKeyBZQHPRCTOGQFIF-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

5-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 51113768
2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114826
N-(2-amino-5-methylphenyl)-2-chlorobenzenesulfonamide
CID 112557510
3-[(2-chloro-4-methylphenyl)sulfamoyl]-2-hydroxy-5-methylbenzoic acid
CID 51126123
3-[(2-chlorophenyl)sulfonylamino]-4-methylbenzoic acid
CID 4801006
3-chloro-2-[(2-chlorophenyl)sulfonylamino]benzoic acid
CID 45314134
5-methyl-2-(quinolin-5-ylsulfonylamino)benzoic acid
CID 51134356
5-methyl-2-(thiophen-2-ylsulfonylamino)benzoic acid
CID 24693144
5-methyl-2-(1H-pyrrol-3-ylsulfonylamino)benzoic acid
CID 43294353
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114842
2-[(4-ethylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114828
3-[(2,4-dichlorophenyl)sulfamoyl]-2-hydroxy-5-methylbenzoic acid
CID 51127324

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)sulfonylamino]-5-methylbenzoic acid?
The IUPAC name of 2-[(2-chlorophenyl)sulfonylamino]-5-methylbenzoic acid (CID 28970995) is 2-[(2-chlorophenyl)sulfonylamino]-5-methylbenzoic acid.
What is the SMILES notation for 2-[(2-chlorophenyl)sulfonylamino]-5-methylbenzoic acid?
The canonical SMILES for 2-[(2-chlorophenyl)sulfonylamino]-5-methylbenzoic acid is Cc1ccc(NS(=O)(=O)c2ccccc2Cl)c(C(=O)O)c1.
What is the InChIKey of 2-[(2-chlorophenyl)sulfonylamino]-5-methylbenzoic acid?
The InChIKey is BZQHPRCTOGQFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4S/c1-9-6-7-12(10(8-9)14(17)18)16-21(19,20)13-5-3-2-4-11(13)15/h2-8,16H,1H3,(H,17,18).
What are the key properties of 2-[(2-chlorophenyl)sulfonylamino]-5-methylbenzoic acid?
2-[(2-chlorophenyl)sulfonylamino]-5-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-[(2-chlorophenyl)sulfonylamino]-5-methylbenzoic acid is sourced from PubChem (CID 28970995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).