4-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-sulfonamide

C13H16N4O4S2 — CID 46704079

IUPAC4-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2ccncc2S(N)(=O)=O)cc1
InChIInChI=1S/C13H16N4O4S2/c14-22(18,19)11-3-1-10(2-4-11)5-8-17-12-6-7-16-9-13(12)23(15,20)21/h1-4,6-7,9H,5,8H2,(H,16,17)(H2,14,18,19)(H2,15,20,21)
InChIKeyNSQHBCSUZOLMBS-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.03
Rot. Bonds6

About 4-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-sulfonamide

4-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-sulfonamide (PubChem CID 46704079) has the molecular formula C13H16N4O4S2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-sulfonamide
PubChem CID46704079
Molecular FormulaC13H16N4O4S2
Molecular Weight356.43 g/mol
Exact Mass356.06
IUPAC Name4-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2ccncc2S(N)(=O)=O)cc1
InChIInChI=1S/C13H16N4O4S2/c14-22(18,19)11-3-1-10(2-4-11)5-8-17-12-6-7-16-9-13(12)23(15,20)21/h1-4,6-7,9H,5,8H2,(H,16,17)(H2,14,18,19)(H2,15,20,21)
InChIKeyNSQHBCSUZOLMBS-UHFFFAOYSA-N
XLogP0.03
TPSA145.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-sulfonamide?
The IUPAC name of 4-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-sulfonamide (CID 46704079) is 4-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-sulfonamide.
What is the SMILES notation for 4-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-sulfonamide?
The canonical SMILES for 4-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-sulfonamide is NS(=O)(=O)c1ccc(CCNc2ccncc2S(N)(=O)=O)cc1.
What is the InChIKey of 4-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-sulfonamide?
The InChIKey is NSQHBCSUZOLMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4S2/c14-22(18,19)11-3-1-10(2-4-11)5-8-17-12-6-7-16-9-13(12)23(15,20)21/h1-4,6-7,9H,5,8H2,(H,16,17)(H2,14,18,19)(H2,15,20,21).
What are the key properties of 4-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-sulfonamide?
4-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-sulfonamide has a molecular weight of 356.43 g/mol, XLogP of 0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-sulfonamide is sourced from PubChem (CID 46704079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).