2-[[5-(methylcarbamoyl)thiophen-3-yl]sulfonylamino]benzoic acid

C13H12N2O5S2 — CID 27261800

IUPAC2-[[5-(methylcarbamoyl)thiophen-3-yl]sulfonylamino]benzoic acid
SMILESCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)O)cs1
InChIInChI=1S/C13H12N2O5S2/c1-14-12(16)11-6-8(7-21-11)22(19,20)15-10-5-3-2-4-9(10)13(17)18/h2-7,15H,1H3,(H,14,16)(H,17,18)
InChIKeyHZXSSRRECUVLFL-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.61
Rot. Bonds5

About 2-[[5-(methylcarbamoyl)thiophen-3-yl]sulfonylamino]benzoic acid

2-[[5-(methylcarbamoyl)thiophen-3-yl]sulfonylamino]benzoic acid (PubChem CID 27261800) has the molecular formula C13H12N2O5S2 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[[5-(methylcarbamoyl)thiophen-3-yl]sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-[[5-(methylcarbamoyl)thiophen-3-yl]sulfonylamino]benzoic acid
PubChem CID27261800
Molecular FormulaC13H12N2O5S2
Molecular Weight340.38 g/mol
Exact Mass340.02
IUPAC Name2-[[5-(methylcarbamoyl)thiophen-3-yl]sulfonylamino]benzoic acid
SMILESCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)O)cs1
InChIInChI=1S/C13H12N2O5S2/c1-14-12(16)11-6-8(7-21-11)22(19,20)15-10-5-3-2-4-9(10)13(17)18/h2-7,15H,1H3,(H,14,16)(H,17,18)
InChIKeyHZXSSRRECUVLFL-UHFFFAOYSA-N
XLogP1.61
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[5-(methylcarbamoyl)thiophen-3-yl]sulfonylamino]benzoate
CID 6503946
2-[[4-(propan-2-ylsulfamoyl)thiophene-2-carbonyl]amino]benzoic acid
CID 6504079
4-[(2-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61061675
4-[(2,4-dimethoxyphenyl)sulfamoyl]-N-methylthiophene-2-carboxamide
CID 6503913
4,5-dimethoxy-2-[[4-[(2-methylphenyl)sulfamoyl]thiophene-2-carbonyl]amino]benzoic acid
CID 22307958
4-[(3-fluorophenyl)sulfamoyl]-N-methylthiophene-2-carboxamide
CID 6503928
2-[(4-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoic acid
CID 6503300
4-methyl-3-[[4-[(2-methylphenyl)sulfamoyl]thiophene-2-carbonyl]amino]benzoic acid
CID 22307959
4-[(2-ethylsulfanylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61061735
2-[(4-carboxyphenyl)sulfonylamino]benzoic acid
CID 763907
2-[[4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carbonyl]amino]benzoic acid
CID 6503539
2-[(4-acetamidophenyl)sulfonylamino]benzoic acid
CID 3863821

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(methylcarbamoyl)thiophen-3-yl]sulfonylamino]benzoic acid?
The IUPAC name of 2-[[5-(methylcarbamoyl)thiophen-3-yl]sulfonylamino]benzoic acid (CID 27261800) is 2-[[5-(methylcarbamoyl)thiophen-3-yl]sulfonylamino]benzoic acid.
What is the SMILES notation for 2-[[5-(methylcarbamoyl)thiophen-3-yl]sulfonylamino]benzoic acid?
The canonical SMILES for 2-[[5-(methylcarbamoyl)thiophen-3-yl]sulfonylamino]benzoic acid is CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)O)cs1.
What is the InChIKey of 2-[[5-(methylcarbamoyl)thiophen-3-yl]sulfonylamino]benzoic acid?
The InChIKey is HZXSSRRECUVLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5S2/c1-14-12(16)11-6-8(7-21-11)22(19,20)15-10-5-3-2-4-9(10)13(17)18/h2-7,15H,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-[[5-(methylcarbamoyl)thiophen-3-yl]sulfonylamino]benzoic acid?
2-[[5-(methylcarbamoyl)thiophen-3-yl]sulfonylamino]benzoic acid has a molecular weight of 340.38 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(methylcarbamoyl)thiophen-3-yl]sulfonylamino]benzoic acid is sourced from PubChem (CID 27261800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).