5-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-sulfonamide

C16H15N3O4S3 — CID 2738724

IUPAC5-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(-c3ccccn3)s2)cc1
InChIInChI=1S/C16H15N3O4S3/c17-25(20,21)13-6-4-12(5-7-13)11-19-26(22,23)16-9-8-15(24-16)14-3-1-2-10-18-14/h1-10,19H,11H2,(H2,17,20,21)
InChIKeyBUMCIASNIRPGAH-UHFFFAOYSA-N
MW409.51 g/mol
LogP1.94
Rot. Bonds6

About 5-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-sulfonamide

5-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-sulfonamide (PubChem CID 2738724) has the molecular formula C16H15N3O4S3 and a molecular weight of 409.51 g/mol. Its IUPAC name is 5-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-sulfonamide
PubChem CID2738724
Molecular FormulaC16H15N3O4S3
Molecular Weight409.51 g/mol
Exact Mass409.02
IUPAC Name5-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(-c3ccccn3)s2)cc1
InChIInChI=1S/C16H15N3O4S3/c17-25(20,21)13-6-4-12(5-7-13)11-19-26(22,23)16-9-8-15(24-16)14-3-1-2-10-18-14/h1-10,19H,11H2,(H2,17,20,21)
InChIKeyBUMCIASNIRPGAH-UHFFFAOYSA-N
XLogP1.94
TPSA119.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-sulfonamide (CID 2738724) is 5-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-sulfonamide is NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(-c3ccccn3)s2)cc1.
What is the InChIKey of 5-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is BUMCIASNIRPGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S3/c17-25(20,21)13-6-4-12(5-7-13)11-19-26(22,23)16-9-8-15(24-16)14-3-1-2-10-18-14/h1-10,19H,11H2,(H2,17,20,21).
What are the key properties of 5-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-sulfonamide?
5-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 409.51 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 2738724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).