2,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]thiophene-3-sulfonamide

C13H16N2O4S3 — CID 3238507

IUPAC2,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)c(C)s1
InChIInChI=1S/C13H16N2O4S3/c1-9-7-13(10(2)20-9)22(18,19)15-8-11-3-5-12(6-4-11)21(14,16)17/h3-7,15H,8H2,1-2H3,(H2,14,16,17)
InChIKeyXMZDGQCFQQOALE-UHFFFAOYSA-N
MW360.48 g/mol
LogP1.49
Rot. Bonds5

About 2,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]thiophene-3-sulfonamide

2,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]thiophene-3-sulfonamide (PubChem CID 3238507) has the molecular formula C13H16N2O4S3 and a molecular weight of 360.48 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]thiophene-3-sulfonamide
PubChem CID3238507
Molecular FormulaC13H16N2O4S3
Molecular Weight360.48 g/mol
Exact Mass360.03
IUPAC Name2,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)c(C)s1
InChIInChI=1S/C13H16N2O4S3/c1-9-7-13(10(2)20-9)22(18,19)15-8-11-3-5-12(6-4-11)21(14,16)17/h3-7,15H,8H2,1-2H3,(H2,14,16,17)
InChIKeyXMZDGQCFQQOALE-UHFFFAOYSA-N
XLogP1.49
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]thiophene-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]thiophene-3-sulfonamide (CID 3238507) is 2,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]thiophene-3-sulfonamide is Cc1cc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]thiophene-3-sulfonamide?
The InChIKey is XMZDGQCFQQOALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S3/c1-9-7-13(10(2)20-9)22(18,19)15-8-11-3-5-12(6-4-11)21(14,16)17/h3-7,15H,8H2,1-2H3,(H2,14,16,17).
What are the key properties of 2,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]thiophene-3-sulfonamide?
2,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]thiophene-3-sulfonamide has a molecular weight of 360.48 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 3238507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).