4-[(3-chlorophenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid

C13H12ClNO4S2 — CID 63328289

IUPAC4-[(3-chlorophenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C13H12ClNO4S2/c1-8-12(6-11(20-8)13(16)17)21(18,19)15-7-9-3-2-4-10(14)5-9/h2-6,15H,7H2,1H3,(H,16,17)
InChIKeyQWLDIPNMVXBJJA-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.89
Rot. Bonds5

About 4-[(3-chlorophenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid

4-[(3-chlorophenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid (PubChem CID 63328289) has the molecular formula C13H12ClNO4S2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
PubChem CID63328289
Molecular FormulaC13H12ClNO4S2
Molecular Weight345.83 g/mol
Exact Mass344.99
IUPAC Name4-[(3-chlorophenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C13H12ClNO4S2/c1-8-12(6-11(20-8)13(16)17)21(18,19)15-7-9-3-2-4-10(14)5-9/h2-6,15H,7H2,1H3,(H,16,17)
InChIKeyQWLDIPNMVXBJJA-UHFFFAOYSA-N
XLogP2.89
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-4-[(4-methylphenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 63328239
5-[(3-chlorophenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61026620
4-[(2-hydroxyphenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 114331362
4-[(3-chlorophenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61073401
4-[(2-bromo-4-chlorophenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 80980079
4-[2-(methanesulfonamido)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328601
5-bromo-4-[(3-fluorophenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 43362608
5-[(3-chlorophenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 43361993
5-methyl-4-(1,3-thiazol-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 55260464
5-methyl-4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
CID 63328152
5-methyl-4-(3-methylbut-2-enylsulfamoyl)thiophene-2-carboxylic acid
CID 114155436
3-amino-N-[(3-chlorophenyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 79885283

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid?
The IUPAC name of 4-[(3-chlorophenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid (CID 63328289) is 4-[(3-chlorophenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(3-chlorophenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid?
The canonical SMILES for 4-[(3-chlorophenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid is Cc1sc(C(=O)O)cc1S(=O)(=O)NCc1cccc(Cl)c1.
What is the InChIKey of 4-[(3-chlorophenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid?
The InChIKey is QWLDIPNMVXBJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO4S2/c1-8-12(6-11(20-8)13(16)17)21(18,19)15-7-9-3-2-4-10(14)5-9/h2-6,15H,7H2,1H3,(H,16,17).
What are the key properties of 4-[(3-chlorophenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid?
4-[(3-chlorophenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid has a molecular weight of 345.83 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 63328289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).