4-[4-(methanesulfonamido)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide

C13H13N7O4S2 — CID 118265911

IUPAC4-[4-(methanesulfonamido)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2ccnc(S(N)(=O)=O)c2-c2nn[nH]n2)cc1
InChIInChI=1S/C13H13N7O4S2/c1-25(21,22)18-9-4-2-8(3-5-9)10-6-7-15-13(26(14,23)24)11(10)12-16-19-20-17-12/h2-7,18H,1H3,(H2,14,23,24)(H,16,17,19,20)
InChIKeyZDHKLIKYBALHKG-UHFFFAOYSA-N
MW395.43 g/mol
LogP-0.05
Rot. Bonds5

About 4-[4-(methanesulfonamido)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide

4-[4-(methanesulfonamido)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide (PubChem CID 118265911) has the molecular formula C13H13N7O4S2 and a molecular weight of 395.43 g/mol. Its IUPAC name is 4-[4-(methanesulfonamido)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name4-[4-(methanesulfonamido)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
PubChem CID118265911
Molecular FormulaC13H13N7O4S2
Molecular Weight395.43 g/mol
Exact Mass395.05
IUPAC Name4-[4-(methanesulfonamido)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2ccnc(S(N)(=O)=O)c2-c2nn[nH]n2)cc1
InChIInChI=1S/C13H13N7O4S2/c1-25(21,22)18-9-4-2-8(3-5-9)10-6-7-15-13(26(14,23)24)11(10)12-16-19-20-17-12/h2-7,18H,1H3,(H2,14,23,24)(H,16,17,19,20)
InChIKeyZDHKLIKYBALHKG-UHFFFAOYSA-N
XLogP-0.05
TPSA173.68 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[4-(methanesulfonamido)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(methanesulfonamido)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The IUPAC name of 4-[4-(methanesulfonamido)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide (CID 118265911) is 4-[4-(methanesulfonamido)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide.
What is the SMILES notation for 4-[4-(methanesulfonamido)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The canonical SMILES for 4-[4-(methanesulfonamido)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide is CS(=O)(=O)Nc1ccc(-c2ccnc(S(N)(=O)=O)c2-c2nn[nH]n2)cc1.
What is the InChIKey of 4-[4-(methanesulfonamido)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The InChIKey is ZDHKLIKYBALHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O4S2/c1-25(21,22)18-9-4-2-8(3-5-9)10-6-7-15-13(26(14,23)24)11(10)12-16-19-20-17-12/h2-7,18H,1H3,(H2,14,23,24)(H,16,17,19,20).
What are the key properties of 4-[4-(methanesulfonamido)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
4-[4-(methanesulfonamido)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide has a molecular weight of 395.43 g/mol, XLogP of -0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methanesulfonamido)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 118265911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).