5-[(4-chloro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid

C12H10ClNO4S2 — CID 61026864

IUPAC5-[(4-chloro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1cc(Cl)ccc1NS(=O)(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C12H10ClNO4S2/c1-7-6-8(13)2-3-9(7)14-20(17,18)11-5-4-10(19-11)12(15)16/h2-6,14H,1H3,(H,15,16)
InChIKeyQOBOJWAUFWJNDX-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.21
Rot. Bonds4

About 5-[(4-chloro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid

5-[(4-chloro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 61026864) has the molecular formula C12H10ClNO4S2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 5-[(4-chloro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-chloro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID61026864
Molecular FormulaC12H10ClNO4S2
Molecular Weight331.80 g/mol
Exact Mass330.97
IUPAC Name5-[(4-chloro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1cc(Cl)ccc1NS(=O)(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C12H10ClNO4S2/c1-7-6-8(13)2-3-9(7)14-20(17,18)11-5-4-10(19-11)12(15)16/h2-6,14H,1H3,(H,15,16)
InChIKeyQOBOJWAUFWJNDX-UHFFFAOYSA-N
XLogP3.21
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(5-chloro-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026497
5-[(5-chloro-2-cyanophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61027646
5-[(2,3,4-trifluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026611
3-[(4-chloro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235706
5-[(4-chloro-2-methylphenyl)carbamoyl]thiophene-2-carboxylic acid
CID 43414411
5-[(2-chloro-6-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 66257029
5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026479
5-[(4-bromo-2-methylphenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106269968
5-[(2-chloro-4,6-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 82888796
4-(azepane-1-carbonyl)-N-(4-chloro-2-methylphenyl)thiophene-2-sulfonamide
CID 50777685
N-[4-chloro-2-[(5-methylthiophen-2-yl)sulfonylamino]phenyl]acetamide
CID 86870275
4-[(2-bromo-4-chlorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 80980079

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(4-chloro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid (CID 61026864) is 5-[(4-chloro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(4-chloro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(4-chloro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid is Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[(4-chloro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is QOBOJWAUFWJNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO4S2/c1-7-6-8(13)2-3-9(7)14-20(17,18)11-5-4-10(19-11)12(15)16/h2-6,14H,1H3,(H,15,16).
What are the key properties of 5-[(4-chloro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
5-[(4-chloro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 331.80 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 61026864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).