2-methyl-N-(4-sulfamoylphenyl)furan-3-carboxamide

C12H12N2O4S — CID 896124

IUPAC2-methyl-N-(4-sulfamoylphenyl)furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H12N2O4S/c1-8-11(6-7-18-8)12(15)14-9-2-4-10(5-3-9)19(13,16)17/h2-7H,1H3,(H,14,15)(H2,13,16,17)
InChIKeyVJTQKGZGKJIMSQ-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.49
Rot. Bonds3

About 2-methyl-N-(4-sulfamoylphenyl)furan-3-carboxamide

2-methyl-N-(4-sulfamoylphenyl)furan-3-carboxamide (PubChem CID 896124) has the molecular formula C12H12N2O4S and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-methyl-N-(4-sulfamoylphenyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-sulfamoylphenyl)furan-3-carboxamide
PubChem CID896124
Molecular FormulaC12H12N2O4S
Molecular Weight280.31 g/mol
Exact Mass280.05
IUPAC Name2-methyl-N-(4-sulfamoylphenyl)furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H12N2O4S/c1-8-11(6-7-18-8)12(15)14-9-2-4-10(5-3-9)19(13,16)17/h2-7H,1H3,(H,14,15)(H2,13,16,17)
InChIKeyVJTQKGZGKJIMSQ-UHFFFAOYSA-N
XLogP1.49
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-sulfamoylphenyl)furan-3-carboxamide?
The IUPAC name of 2-methyl-N-(4-sulfamoylphenyl)furan-3-carboxamide (CID 896124) is 2-methyl-N-(4-sulfamoylphenyl)furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-sulfamoylphenyl)furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-(4-sulfamoylphenyl)furan-3-carboxamide is Cc1occc1C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-methyl-N-(4-sulfamoylphenyl)furan-3-carboxamide?
The InChIKey is VJTQKGZGKJIMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c1-8-11(6-7-18-8)12(15)14-9-2-4-10(5-3-9)19(13,16)17/h2-7H,1H3,(H,14,15)(H2,13,16,17).
What are the key properties of 2-methyl-N-(4-sulfamoylphenyl)furan-3-carboxamide?
2-methyl-N-(4-sulfamoylphenyl)furan-3-carboxamide has a molecular weight of 280.31 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-sulfamoylphenyl)furan-3-carboxamide is sourced from PubChem (CID 896124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).