2-[(4-methylphenyl)sulfonylamino]thiophene-3-carboxylic acid

C12H11NO4S2 — CID 16778282

IUPAC2-[(4-methylphenyl)sulfonylamino]thiophene-3-carboxylic acid
SMILESCc1ccc(S(=O)(=O)Nc2sccc2C(=O)O)cc1
InChIInChI=1S/C12H11NO4S2/c1-8-2-4-9(5-3-8)19(16,17)13-11-10(12(14)15)6-7-18-11/h2-7,13H,1H3,(H,14,15)
InChIKeyMHBWQTDPFAPOOY-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.56
Rot. Bonds4

About 2-[(4-methylphenyl)sulfonylamino]thiophene-3-carboxylic acid

2-[(4-methylphenyl)sulfonylamino]thiophene-3-carboxylic acid (PubChem CID 16778282) has the molecular formula C12H11NO4S2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-[(4-methylphenyl)sulfonylamino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methylphenyl)sulfonylamino]thiophene-3-carboxylic acid
PubChem CID16778282
Molecular FormulaC12H11NO4S2
Molecular Weight297.36 g/mol
Exact Mass297.01
IUPAC Name2-[(4-methylphenyl)sulfonylamino]thiophene-3-carboxylic acid
SMILESCc1ccc(S(=O)(=O)Nc2sccc2C(=O)O)cc1
InChIInChI=1S/C12H11NO4S2/c1-8-2-4-9(5-3-8)19(16,17)13-11-10(12(14)15)6-7-18-11/h2-7,13H,1H3,(H,14,15)
InChIKeyMHBWQTDPFAPOOY-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

3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 16771674
N-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]thiophene-3-carboxamide
CID 18558971
2-(propylsulfonylamino)thiophene-3-carboxylic acid
CID 16776881
3-methyl-5-[(4-methylphenyl)sulfonylamino]-1,2-thiazole-4-carboxylic acid
CID 60868846
3-methyl-5-[(4-methylphenyl)sulfonylamino]thiophene-2,4-dicarboxylic acid
CID 19349749
2-[[4-(bromomethyl)phenyl]sulfonylamino]thiophene-3-carboxamide
CID 65482182
2-[(4-ethylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114828
5-bromo-2,3-difluoro-4-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 169373142
2-amino-5-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 134108932
2-hydroxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 2133740
3-methyl-5-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 16771942
ethyl 2-[(6-chloro-3-pyridinyl)sulfonylamino]thiophene-3-carboxylate
CID 61053004

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)sulfonylamino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[(4-methylphenyl)sulfonylamino]thiophene-3-carboxylic acid (CID 16778282) is 2-[(4-methylphenyl)sulfonylamino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(4-methylphenyl)sulfonylamino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(4-methylphenyl)sulfonylamino]thiophene-3-carboxylic acid is Cc1ccc(S(=O)(=O)Nc2sccc2C(=O)O)cc1.
What is the InChIKey of 2-[(4-methylphenyl)sulfonylamino]thiophene-3-carboxylic acid?
The InChIKey is MHBWQTDPFAPOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4S2/c1-8-2-4-9(5-3-8)19(16,17)13-11-10(12(14)15)6-7-18-11/h2-7,13H,1H3,(H,14,15).
What are the key properties of 2-[(4-methylphenyl)sulfonylamino]thiophene-3-carboxylic acid?
2-[(4-methylphenyl)sulfonylamino]thiophene-3-carboxylic 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 2-[(4-methylphenyl)sulfonylamino]thiophene-3-carboxylic acid is sourced from PubChem (CID 16778282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).