4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-2-methylbenzoic acid

C13H12ClNO4S2 — CID 103099684

IUPAC4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-2-methylbenzoic acid
SMILESCc1cc(NS(=O)(=O)c2cc(C)c(Cl)s2)ccc1C(=O)O
InChIInChI=1S/C13H12ClNO4S2/c1-7-5-9(3-4-10(7)13(16)17)15-21(18,19)11-6-8(2)12(14)20-11/h3-6,15H,1-2H3,(H,16,17)
InChIKeyFBBDMTICYNTGFZ-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.52
Rot. Bonds4

About 4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-2-methylbenzoic acid

4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-2-methylbenzoic acid (PubChem CID 103099684) has the molecular formula C13H12ClNO4S2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-2-methylbenzoic acid.

Molecular Properties

Compound Name4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-2-methylbenzoic acid
PubChem CID103099684
Molecular FormulaC13H12ClNO4S2
Molecular Weight345.83 g/mol
Exact Mass344.99
IUPAC Name4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-2-methylbenzoic acid
SMILESCc1cc(NS(=O)(=O)c2cc(C)c(Cl)s2)ccc1C(=O)O
InChIInChI=1S/C13H12ClNO4S2/c1-7-5-9(3-4-10(7)13(16)17)15-21(18,19)11-6-8(2)12(14)20-11/h3-6,15H,1-2H3,(H,16,17)
InChIKeyFBBDMTICYNTGFZ-UHFFFAOYSA-N
XLogP3.52
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]benzoic acid
CID 103099599
2-methyl-4-(thiophen-2-ylsulfonylamino)benzoic acid
CID 56828335
2-chloro-4-[(5-methylthiophen-2-yl)sulfonylamino]benzoic acid
CID 47390474
N-(4-aminophenyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 103099477
2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid
CID 103099620
3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-4-fluorobenzoic acid
CID 103099646
N-(5-acetyl-2-pyridinyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 91662469
N-(3-aminophenyl)-5-chloro-4-methylthiophene-2-sulfonamide
CID 103099480
5-chloro-N-[3-(1-hydroxyethyl)phenyl]-4-methylthiophene-2-sulfonamide
CID 103100292
5-[(4-bromo-3-methylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43311184
5-chloro-N-[3-(ethylaminomethyl)phenyl]-4-methylthiophene-2-sulfonamide
CID 103100364
5-chloro-N-[1-(2-hydroxyethyl)-6-oxo-3-pyridinyl]-4-methylthiophene-2-sulfonamide
CID 126828839

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-2-methylbenzoic acid?
The IUPAC name of 4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-2-methylbenzoic acid (CID 103099684) is 4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-2-methylbenzoic acid.
What is the SMILES notation for 4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-2-methylbenzoic acid?
The canonical SMILES for 4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-2-methylbenzoic acid is Cc1cc(NS(=O)(=O)c2cc(C)c(Cl)s2)ccc1C(=O)O.
What is the InChIKey of 4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-2-methylbenzoic acid?
The InChIKey is FBBDMTICYNTGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO4S2/c1-7-5-9(3-4-10(7)13(16)17)15-21(18,19)11-6-8(2)12(14)20-11/h3-6,15H,1-2H3,(H,16,17).
What are the key properties of 4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-2-methylbenzoic acid?
4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-2-methylbenzoic acid has a molecular weight of 345.83 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-2-methylbenzoic acid is sourced from PubChem (CID 103099684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).