5-methyl-2-(thiophen-2-ylsulfonylamino)benzoic acid

C12H11NO4S2 — CID 24693144

IUPAC5-methyl-2-(thiophen-2-ylsulfonylamino)benzoic acid
SMILESCc1ccc(NS(=O)(=O)c2cccs2)c(C(=O)O)c1
InChIInChI=1S/C12H11NO4S2/c1-8-4-5-10(9(7-8)12(14)15)13-19(16,17)11-3-2-6-18-11/h2-7,13H,1H3,(H,14,15)
InChIKeySNKBCDSBAWJJGO-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.56
Rot. Bonds4

About 5-methyl-2-(thiophen-2-ylsulfonylamino)benzoic acid

5-methyl-2-(thiophen-2-ylsulfonylamino)benzoic acid (PubChem CID 24693144) has the molecular formula C12H11NO4S2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-methyl-2-(thiophen-2-ylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name5-methyl-2-(thiophen-2-ylsulfonylamino)benzoic acid
PubChem CID24693144
Molecular FormulaC12H11NO4S2
Molecular Weight297.36 g/mol
Exact Mass297.01
IUPAC Name5-methyl-2-(thiophen-2-ylsulfonylamino)benzoic acid
SMILESCc1ccc(NS(=O)(=O)c2cccs2)c(C(=O)O)c1
InChIInChI=1S/C12H11NO4S2/c1-8-4-5-10(9(7-8)12(14)15)13-19(16,17)11-3-2-6-18-11/h2-7,13H,1H3,(H,14,15)
InChIKeySNKBCDSBAWJJGO-UHFFFAOYSA-N
XLogP2.56
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-4-methylphenyl)thiophene-2-sulfonamide
CID 7939241
N-[2-[[(2-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 30156853
2-methyl-4-(thiophen-2-ylsulfonylamino)benzoic acid
CID 56828335
2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoic acid
CID 104833093
2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114826
5-methyl-2-(1H-pyrrol-3-ylsulfonylamino)benzoic acid
CID 43294353
2-[(2-chlorophenyl)sulfonylamino]-5-methylbenzoic acid
CID 28970995
2-[4-methyl-2-[[[5-methyl-2-(thiophen-2-ylsulfonylamino)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 171133765
2-(thiophen-2-ylsulfonylamino)benzamide
CID 769135
2-carboxy-4-(thiophen-2-ylsulfonylamino)phenolate
CID 54711268
N-(2-fluoro-4-methylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55914376
5-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 51113768

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(thiophen-2-ylsulfonylamino)benzoic acid?
The IUPAC name of 5-methyl-2-(thiophen-2-ylsulfonylamino)benzoic acid (CID 24693144) is 5-methyl-2-(thiophen-2-ylsulfonylamino)benzoic acid.
What is the SMILES notation for 5-methyl-2-(thiophen-2-ylsulfonylamino)benzoic acid?
The canonical SMILES for 5-methyl-2-(thiophen-2-ylsulfonylamino)benzoic acid is Cc1ccc(NS(=O)(=O)c2cccs2)c(C(=O)O)c1.
What is the InChIKey of 5-methyl-2-(thiophen-2-ylsulfonylamino)benzoic acid?
The InChIKey is SNKBCDSBAWJJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4S2/c1-8-4-5-10(9(7-8)12(14)15)13-19(16,17)11-3-2-6-18-11/h2-7,13H,1H3,(H,14,15).
What are the key properties of 5-methyl-2-(thiophen-2-ylsulfonylamino)benzoic acid?
5-methyl-2-(thiophen-2-ylsulfonylamino)benzoic acid has a molecular weight of 297.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(thiophen-2-ylsulfonylamino)benzoic acid is sourced from PubChem (CID 24693144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).