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

C12H10N6O2S — CID 118265917

IUPAC4-phenyl-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nccc(-c2ccccc2)c1-c1nn[nH]n1
InChIInChI=1S/C12H10N6O2S/c13-21(19,20)12-10(11-15-17-18-16-11)9(6-7-14-12)8-4-2-1-3-5-8/h1-7H,(H2,13,19,20)(H,15,16,17,18)
InChIKeyYVJCYRYVQKBMEG-UHFFFAOYSA-N
MW302.32 g/mol
LogP0.58
Rot. Bonds3

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

4-phenyl-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide (PubChem CID 118265917) has the molecular formula C12H10N6O2S and a molecular weight of 302.32 g/mol. Its IUPAC name is 4-phenyl-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name4-phenyl-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
PubChem CID118265917
Molecular FormulaC12H10N6O2S
Molecular Weight302.32 g/mol
Exact Mass302.06
IUPAC Name4-phenyl-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nccc(-c2ccccc2)c1-c1nn[nH]n1
InChIInChI=1S/C12H10N6O2S/c13-21(19,20)12-10(11-15-17-18-16-11)9(6-7-14-12)8-4-2-1-3-5-8/h1-7H,(H2,13,19,20)(H,15,16,17,18)
InChIKeyYVJCYRYVQKBMEG-UHFFFAOYSA-N
XLogP0.58
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The IUPAC name of 4-phenyl-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide (CID 118265917) is 4-phenyl-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide.
What is the SMILES notation for 4-phenyl-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The canonical SMILES for 4-phenyl-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide is NS(=O)(=O)c1nccc(-c2ccccc2)c1-c1nn[nH]n1.
What is the InChIKey of 4-phenyl-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The InChIKey is YVJCYRYVQKBMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O2S/c13-21(19,20)12-10(11-15-17-18-16-11)9(6-7-14-12)8-4-2-1-3-5-8/h1-7H,(H2,13,19,20)(H,15,16,17,18).
What are the key properties of 4-phenyl-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
4-phenyl-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide has a molecular weight of 302.32 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 118265917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).