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

C17H18N6O3S — CID 118257383

IUPAC4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nccc(-c2ccc(C3CCOCC3)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C17H18N6O3S/c18-27(24,25)17-15(16-20-22-23-21-16)14(5-8-19-17)13-3-1-11(2-4-13)12-6-9-26-10-7-12/h1-5,8,12H,6-7,9-10H2,(H2,18,24,25)(H,20,21,22,23)
InChIKeySBYZKUCRWICYFE-UHFFFAOYSA-N
MW386.44 g/mol
LogP1.47
Rot. Bonds4

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

4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide (PubChem CID 118257383) has the molecular formula C17H18N6O3S and a molecular weight of 386.44 g/mol. Its IUPAC name is 4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
PubChem CID118257383
Molecular FormulaC17H18N6O3S
Molecular Weight386.44 g/mol
Exact Mass386.12
IUPAC Name4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nccc(-c2ccc(C3CCOCC3)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C17H18N6O3S/c18-27(24,25)17-15(16-20-22-23-21-16)14(5-8-19-17)13-3-1-11(2-4-13)12-6-9-26-10-7-12/h1-5,8,12H,6-7,9-10H2,(H2,18,24,25)(H,20,21,22,23)
InChIKeySBYZKUCRWICYFE-UHFFFAOYSA-N
XLogP1.47
TPSA136.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3P)-4-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118257356
CID 118265917
CID 118265917
3-(1H-Tetrazol-5-yl)-4-(p-tolyl)pyridine-2-sulfonamide
CID 118256913
4-(2-Sulfamoyl-3-(1H-tetrazol-5-yl)pyridin-4-yl)-N-(tetrahydro-2H-pyran-4-yl)benzamide
CID 118257170
3''-(1H-tetrazol-5-yl)-[3,4''-bipyridine]-2''-sulfonamide
CID 118265336
3-(1H-tetrazol-5-yl)-[4,4''-bipyridine]-2-sulfonamide
CID 118265339
4-fluoro-N-(pyridin-3-yl(tetrahydro-2H-pyran-4-yl)methyl)-3-(1H-tetrazol-5-yl)benzenesulfonamide
CID 92118098
4-ethoxy-5-(pyridin-2-ylmethyl)-5-[[4-(2H-tetrazol-5-yl)phenyl]methyl]cyclohexa-1,3-diene-1-sulfonamide
CID 68641758
4-(4-pyrrolidin-3-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118265337
4-(4-piperidin-4-ylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118265341
4-(2-methylphenyl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118265913
2-methylsulfonyl-4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)pyridine
CID 122694159

Frequently Asked Questions

What is the IUPAC name of 4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The IUPAC name of 4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide (CID 118257383) is 4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide.
What is the SMILES notation for 4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The canonical SMILES for 4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide is NS(=O)(=O)c1nccc(-c2ccc(C3CCOCC3)cc2)c1-c1nn[nH]n1.
What is the InChIKey of 4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The InChIKey is SBYZKUCRWICYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3S/c18-27(24,25)17-15(16-20-22-23-21-16)14(5-8-19-17)13-3-1-11(2-4-13)12-6-9-26-10-7-12/h1-5,8,12H,6-7,9-10H2,(H2,18,24,25)(H,20,21,22,23).
What are the key properties of 4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide has a molecular weight of 386.44 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(oxan-4-yl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 118257383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).