2-[(4-chlorophenyl)sulfonylamino]-5-methylbenzoic acid

C14H12ClNO4S — CID 1400162

IUPAC2-[(4-chlorophenyl)sulfonylamino]-5-methylbenzoic acid
SMILESCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(C(=O)O)c1
InChIInChI=1S/C14H12ClNO4S/c1-9-2-7-13(12(8-9)14(17)18)16-21(19,20)11-5-3-10(15)4-6-11/h2-8,16H,1H3,(H,17,18)
InChIKeyKZILFSJXWYKWMG-UHFFFAOYSA-N
MW325.77 g/mol
LogP3.15
Rot. Bonds4

About 2-[(4-chlorophenyl)sulfonylamino]-5-methylbenzoic acid

2-[(4-chlorophenyl)sulfonylamino]-5-methylbenzoic acid (PubChem CID 1400162) has the molecular formula C14H12ClNO4S and a molecular weight of 325.77 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-5-methylbenzoic acid
PubChem CID1400162
Molecular FormulaC14H12ClNO4S
Molecular Weight325.77 g/mol
Exact Mass325.02
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-5-methylbenzoic acid
SMILESCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(C(=O)O)c1
InChIInChI=1S/C14H12ClNO4S/c1-9-2-7-13(12(8-9)14(17)18)16-21(19,20)11-5-3-10(15)4-6-11/h2-8,16H,1H3,(H,17,18)
InChIKeyKZILFSJXWYKWMG-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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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-5-methylbenzoic acid?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-5-methylbenzoic acid (CID 1400162) is 2-[(4-chlorophenyl)sulfonylamino]-5-methylbenzoic acid.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-5-methylbenzoic acid?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-5-methylbenzoic acid is Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(C(=O)O)c1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-5-methylbenzoic acid?
The InChIKey is KZILFSJXWYKWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4S/c1-9-2-7-13(12(8-9)14(17)18)16-21(19,20)11-5-3-10(15)4-6-11/h2-8,16H,1H3,(H,17,18).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-5-methylbenzoic acid?
2-[(4-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-[(4-chlorophenyl)sulfonylamino]-5-methylbenzoic acid is sourced from PubChem (CID 1400162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).