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

C15H14N6O3S — CID 159492543

IUPAC4-[4-(2-oxopropyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
SMILESCC(=O)Cc1ccc(-c2ccnc(S(N)(=O)=O)c2-c2nn[nH]n2)cc1
InChIInChI=1S/C15H14N6O3S/c1-9(22)8-10-2-4-11(5-3-10)12-6-7-17-15(25(16,23)24)13(12)14-18-20-21-19-14/h2-7H,8H2,1H3,(H2,16,23,24)(H,18,19,20,21)
InChIKeyLYJJHQJQZQHVBU-UHFFFAOYSA-N
MW358.38 g/mol
LogP0.71
Rot. Bonds5

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

4-[4-(2-oxopropyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide (PubChem CID 159492543) has the molecular formula C15H14N6O3S and a molecular weight of 358.38 g/mol. Its IUPAC name is 4-[4-(2-oxopropyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name4-[4-(2-oxopropyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
PubChem CID159492543
Molecular FormulaC15H14N6O3S
Molecular Weight358.38 g/mol
Exact Mass358.08
IUPAC Name4-[4-(2-oxopropyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
SMILESCC(=O)Cc1ccc(-c2ccnc(S(N)(=O)=O)c2-c2nn[nH]n2)cc1
InChIInChI=1S/C15H14N6O3S/c1-9(22)8-10-2-4-11(5-3-10)12-6-7-17-15(25(16,23)24)13(12)14-18-20-21-19-14/h2-7H,8H2,1H3,(H2,16,23,24)(H,18,19,20,21)
InChIKeyLYJJHQJQZQHVBU-UHFFFAOYSA-N
XLogP0.71
TPSA144.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

CID 118265917
CID 118265917
4-(2-Sulfamoyl-3-(1H-tetrazol-5-yl)pyridin-4-yl)benzamide
CID 118256777
3-(1H-Tetrazol-5-yl)-4-(p-tolyl)pyridine-2-sulfonamide
CID 118256913
Methyl 4-(2-sulfamoyl-3-(1H-tetrazol-5-yl)pyridin-4-yl)benzoate
CID 118257202
N-Cyclopropyl-4-(2-sulfamoyl-3-(1H-tetrazol-5-yl)pyridin-4-yl)benzamide
CID 118257239
4-(4-(Tetrahydro-2H-pyran-4-yl)phenyl)-3-(1H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118257383
3''-(1H-tetrazol-5-yl)-[3,4''-bipyridine]-2''-sulfonamide
CID 118265336
4-(1-oxoisoindolin-5-yl)-3-(1H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118265338
3-(1H-tetrazol-5-yl)-[4,4''-bipyridine]-2-sulfonamide
CID 118265339
3-(4-methylpyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266134
4-[benzyl(methyl)amino]-3-(1H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 118266239
3-(2H-tetrazol-5-yl)-4-[3-(trifluoromethyl)-1H-isoindol-5-yl]pyridine-2-sulfonamide
CID 159274522

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-oxopropyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The IUPAC name of 4-[4-(2-oxopropyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide (CID 159492543) is 4-[4-(2-oxopropyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide.
What is the SMILES notation for 4-[4-(2-oxopropyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The canonical SMILES for 4-[4-(2-oxopropyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide is CC(=O)Cc1ccc(-c2ccnc(S(N)(=O)=O)c2-c2nn[nH]n2)cc1.
What is the InChIKey of 4-[4-(2-oxopropyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
The InChIKey is LYJJHQJQZQHVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O3S/c1-9(22)8-10-2-4-11(5-3-10)12-6-7-17-15(25(16,23)24)13(12)14-18-20-21-19-14/h2-7H,8H2,1H3,(H2,16,23,24)(H,18,19,20,21).
What are the key properties of 4-[4-(2-oxopropyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide?
4-[4-(2-oxopropyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide has a molecular weight of 358.38 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-oxopropyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 159492543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).