4-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylate

C12H10NO4S2- — CID 6949945

IUPAC4-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylate
SMILESCN(c1ccccc1)S(=O)(=O)c1csc(C(=O)[O-])c1
InChIInChI=1S/C12H11NO4S2/c1-13(9-5-3-2-4-6-9)19(16,17)10-7-11(12(14)15)18-8-10/h2-8H,1H3,(H,14,15)/p-1
InChIKeyHSRVLJBCHYKOGI-UHFFFAOYSA-M
MW296.35 g/mol
LogP0.94
Rot. Bonds4

About 4-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylate

4-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 6949945) has the molecular formula C12H10NO4S2- and a molecular weight of 296.35 g/mol. Its IUPAC name is 4-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Name4-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylate
PubChem CID6949945
Molecular FormulaC12H10NO4S2-
Molecular Weight296.35 g/mol
Exact Mass296.01
IUPAC Name4-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylate
SMILESCN(c1ccccc1)S(=O)(=O)c1csc(C(=O)[O-])c1
InChIInChI=1S/C12H11NO4S2/c1-13(9-5-3-2-4-6-9)19(16,17)10-7-11(12(14)15)18-8-10/h2-8H,1H3,(H,14,15)/p-1
InChIKeyHSRVLJBCHYKOGI-UHFFFAOYSA-M
XLogP0.94
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[methyl(phenyl)sulfamoyl]thiophene-2-carboxamide
CID 851375
(4-methoxyphenyl) 4-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylate
CID 6503673
2-[4-[methyl(phenyl)sulfamoyl]phenyl]acetic acid
CID 43440325
4-[methyl-(3-methylphenyl)sulfamoyl]-N-(2-methylphenyl)thiophene-2-carboxamide
CID 6503694
N-methyl-4-[methyl(phenyl)sulfamoyl]-N-phenylbenzamide
CID 21236527
4-[ethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 16761948
2-[[4-(diethylsulfamoyl)thiophene-2-carbonyl]amino]benzoate
CID 6968672
4-(diethylsulfamoyl)thiophene-2-carboxylic acid
CID 27243111
3-[methyl(phenyl)sulfamoyl]benzamide
CID 47102696
N,N-diphenylbenzenesulfonamide;N-methyl-N-phenylbenzenesulfonamide
CID 158565705
N-methyl-4-phenyl-N-(4-phenylphenyl)benzenesulfonamide
CID 141087488
N-[3-[methyl(phenyl)sulfamoyl]phenyl]thiophene-2-carboxamide
CID 17396939

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of 4-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylate (CID 6949945) is 4-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for 4-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for 4-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylate is CN(c1ccccc1)S(=O)(=O)c1csc(C(=O)[O-])c1.
What is the InChIKey of 4-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is HSRVLJBCHYKOGI-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H11NO4S2/c1-13(9-5-3-2-4-6-9)19(16,17)10-7-11(12(14)15)18-8-10/h2-8H,1H3,(H,14,15)/p-1.
What are the key properties of 4-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylate?
4-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 296.35 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(phenyl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 6949945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).