2-methyl-4-sulfamoylthiophene-3-carboxylic acid

C6H7NO4S2 — CID 159930645

IUPAC2-methyl-4-sulfamoylthiophene-3-carboxylic acid
SMILESCc1scc(S(N)(=O)=O)c1C(=O)O
InChIInChI=1S/C6H7NO4S2/c1-3-5(6(8)9)4(2-12-3)13(7,10)11/h2H,1H3,(H,8,9)(H2,7,10,11)
InChIKeyNZPCVSVQESFXQI-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.40
Rot. Bonds2

About 2-methyl-4-sulfamoylthiophene-3-carboxylic acid

2-methyl-4-sulfamoylthiophene-3-carboxylic acid (PubChem CID 159930645) has the molecular formula C6H7NO4S2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-methyl-4-sulfamoylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-sulfamoylthiophene-3-carboxylic acid
PubChem CID159930645
Molecular FormulaC6H7NO4S2
Molecular Weight221.26 g/mol
Exact Mass220.98
IUPAC Name2-methyl-4-sulfamoylthiophene-3-carboxylic acid
SMILESCc1scc(S(N)(=O)=O)c1C(=O)O
InChIInChI=1S/C6H7NO4S2/c1-3-5(6(8)9)4(2-12-3)13(7,10)11/h2H,1H3,(H,8,9)(H2,7,10,11)
InChIKeyNZPCVSVQESFXQI-UHFFFAOYSA-N
XLogP0.40
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-4-sulfamoylthiophene-3-carboxylic acid
CID 139597506
2,6-dimethyl-3-sulfamoylbenzoic acid
CID 68677835
4-methoxy-2-methylthiophene-3-carboxylic acid
CID 23361773
methyl 4-chlorosulfonyl-2-methylthiophene-3-carboxylate
CID 172915706
4-chlorosulfonyl-5-methylthiophene-3-carboxylic acid
CID 142039183
4-methyl-5-sulfamoylbenzene-1,3-dicarboxylic acid
CID 174775873
methyl 4-amino-2-methylthiophene-3-carboxylate
CID 12710776
5-methyl-1,2-thiazole-4-sulfonamide
CID 45080585
5-methylthiophene-2,4-disulfonamide
CID 600438
5-ethoxycarbonyl-4-sulfamoylthiophene-2-carboxylic acid
CID 139663926
3-methyl-5-sulfamoylthiophene-2-carboxylic acid
CID 43314426
5-methoxycarbonyl-4-sulfamoylthiophene-2-carboxylic acid
CID 139663921

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-sulfamoylthiophene-3-carboxylic acid?
The IUPAC name of 2-methyl-4-sulfamoylthiophene-3-carboxylic acid (CID 159930645) is 2-methyl-4-sulfamoylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-methyl-4-sulfamoylthiophene-3-carboxylic acid?
The canonical SMILES for 2-methyl-4-sulfamoylthiophene-3-carboxylic acid is Cc1scc(S(N)(=O)=O)c1C(=O)O.
What is the InChIKey of 2-methyl-4-sulfamoylthiophene-3-carboxylic acid?
The InChIKey is NZPCVSVQESFXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO4S2/c1-3-5(6(8)9)4(2-12-3)13(7,10)11/h2H,1H3,(H,8,9)(H2,7,10,11).
What are the key properties of 2-methyl-4-sulfamoylthiophene-3-carboxylic acid?
2-methyl-4-sulfamoylthiophene-3-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-sulfamoylthiophene-3-carboxylic acid is sourced from PubChem (CID 159930645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).