3-[(2,4,6-trimethylphenyl)sulfamoyl]thiophene-2-carboxylic acid

C14H15NO4S2 — CID 43235697

IUPAC3-[(2,4,6-trimethylphenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1cc(C)c(NS(=O)(=O)c2ccsc2C(=O)O)c(C)c1
InChIInChI=1S/C14H15NO4S2/c1-8-6-9(2)12(10(3)7-8)15-21(18,19)11-4-5-20-13(11)14(16)17/h4-7,15H,1-3H3,(H,16,17)
InChIKeyDIGHNRWPABOLQZ-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.17
Rot. Bonds4

About 3-[(2,4,6-trimethylphenyl)sulfamoyl]thiophene-2-carboxylic acid

3-[(2,4,6-trimethylphenyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 43235697) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[(2,4,6-trimethylphenyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2,4,6-trimethylphenyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID43235697
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC Name3-[(2,4,6-trimethylphenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1cc(C)c(NS(=O)(=O)c2ccsc2C(=O)O)c(C)c1
InChIInChI=1S/C14H15NO4S2/c1-8-6-9(2)12(10(3)7-8)15-21(18,19)11-4-5-20-13(11)14(16)17/h4-7,15H,1-3H3,(H,16,17)
InChIKeyDIGHNRWPABOLQZ-UHFFFAOYSA-N
XLogP3.17
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(phenylsulfamoyl)-N-(2,4,6-trimethylphenyl)thiophene-2-carboxamide
CID 66717288
3-[(4-chloro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235706
3-[(4-fluoro-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 62811245
3-[(5-fluoro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43090747
3-(hydroxysulfamoyl)thiophene-2-carboxylic acid
CID 115279685
3-(dimethylaminosulfamoyl)thiophene-2-carboxylic acid
CID 83004979
3-[(2-chloro-4,6-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 83073347
3-[(2-bromophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235689
3-[(2-methyl-3-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 79042040
3-[(5-bromo-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 43443081
3-[(3-ethylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43090751
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4,6-trimethylphenyl)thiophene-2-carboxamide
CID 70060324

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4,6-trimethylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(2,4,6-trimethylphenyl)sulfamoyl]thiophene-2-carboxylic acid (CID 43235697) is 3-[(2,4,6-trimethylphenyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(2,4,6-trimethylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(2,4,6-trimethylphenyl)sulfamoyl]thiophene-2-carboxylic acid is Cc1cc(C)c(NS(=O)(=O)c2ccsc2C(=O)O)c(C)c1.
What is the InChIKey of 3-[(2,4,6-trimethylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is DIGHNRWPABOLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S2/c1-8-6-9(2)12(10(3)7-8)15-21(18,19)11-4-5-20-13(11)14(16)17/h4-7,15H,1-3H3,(H,16,17).
What are the key properties of 3-[(2,4,6-trimethylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
3-[(2,4,6-trimethylphenyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 325.41 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4,6-trimethylphenyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 43235697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).