3-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid

C11H10ClNO4S3 — CID 60709103

IUPAC3-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C11H10ClNO4S3/c1-13(6-7-2-3-9(12)19-7)20(16,17)8-4-5-18-10(8)11(14)15/h2-5H,6H2,1H3,(H,14,15)
InChIKeyADQNHHYJETXBPK-UHFFFAOYSA-N
MW351.86 g/mol
LogP2.98
Rot. Bonds5

About 3-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid

3-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 60709103) has the molecular formula C11H10ClNO4S3 and a molecular weight of 351.86 g/mol. Its IUPAC name is 3-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID60709103
Molecular FormulaC11H10ClNO4S3
Molecular Weight351.86 g/mol
Exact Mass350.95
IUPAC Name3-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C11H10ClNO4S3/c1-13(6-7-2-3-9(12)19-7)20(16,17)8-4-5-18-10(8)11(14)15/h2-5H,6H2,1H3,(H,14,15)
InChIKeyADQNHHYJETXBPK-UHFFFAOYSA-N
XLogP2.98
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 60948492
3-[(4-fluorophenyl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid
CID 43402885
3-[(2-ethylpyrazol-3-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid
CID 25248155
3-[2-cyanoethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43089813
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzenesulfonamide
CID 54978657
4-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]butanoic acid
CID 54875156
5-amino-N-[(5-chlorothiophen-2-yl)methyl]-2,4-difluoro-N-methylbenzenesulfonamide
CID 61125967
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide
CID 62159075
N-[(5-chlorothiophen-2-yl)methyl]-3,4-difluoro-N-methylbenzenesulfonamide
CID 9302132
5-(2-aminoethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide
CID 61439859
1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one
CID 62053436
2-[(5-chlorothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042685

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid (CID 60709103) is 3-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid is CN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccsc1C(=O)O.
What is the InChIKey of 3-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is ADQNHHYJETXBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO4S3/c1-13(6-7-2-3-9(12)19-7)20(16,17)8-4-5-18-10(8)11(14)15/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of 3-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid?
3-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 351.86 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 60709103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).