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

C13H12N6O3S — CID 118257448

IUPAC5-[4-(hydroxymethyl)phenyl]-4-(2H-tetrazol-5-yl)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cncc(-c2ccc(CO)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C13H12N6O3S/c14-23(21,22)11-6-15-5-10(12(11)13-16-18-19-17-13)9-3-1-8(7-20)2-4-9/h1-6,20H,7H2,(H2,14,21,22)(H,16,17,18,19)
InChIKeyIPEWPEWBTFTKFI-UHFFFAOYSA-N
MW332.35 g/mol
LogP0.07
Rot. Bonds4

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

5-[4-(hydroxymethyl)phenyl]-4-(2H-tetrazol-5-yl)pyridine-3-sulfonamide (PubChem CID 118257448) has the molecular formula C13H12N6O3S and a molecular weight of 332.35 g/mol. Its IUPAC name is 5-[4-(hydroxymethyl)phenyl]-4-(2H-tetrazol-5-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-[4-(hydroxymethyl)phenyl]-4-(2H-tetrazol-5-yl)pyridine-3-sulfonamide
PubChem CID118257448
Molecular FormulaC13H12N6O3S
Molecular Weight332.35 g/mol
Exact Mass332.07
IUPAC Name5-[4-(hydroxymethyl)phenyl]-4-(2H-tetrazol-5-yl)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cncc(-c2ccc(CO)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C13H12N6O3S/c14-23(21,22)11-6-15-5-10(12(11)13-16-18-19-17-13)9-3-1-8(7-20)2-4-9/h1-6,20H,7H2,(H2,14,21,22)(H,16,17,18,19)
InChIKeyIPEWPEWBTFTKFI-UHFFFAOYSA-N
XLogP0.07
TPSA147.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2H-tetrazol-5-yl)-3-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 122687798
3-pyridin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 171344422
3-[4-(3-aminopropyl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266200
2-[methyl-[[4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]acetic acid
CID 118266555
3-(6-aminopyrazin-2-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118265360
3-(6-methoxy-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266069
2-[4-[5-(hydroxymethyl)-3-pyridinyl]-2-sulfamoyl-3-(2H-tetrazol-5-yl)phenyl]sulfonylethylazanium;2,2,2-trifluoroacetate
CID 135150290
3-[[4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]butanoic acid
CID 118266609
3-[4-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118265970
3-[4-(aminomethyl)phenyl]-6-bromo-2-(2H-tetrazol-5-yl)benzenesulfonamide;ethane
CID 144893208
3-(1H-indazol-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266110
3-(4-methylphenyl)-5-(6-oxo-1H-pyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266278

Frequently Asked Questions

What is the IUPAC name of 5-[4-(hydroxymethyl)phenyl]-4-(2H-tetrazol-5-yl)pyridine-3-sulfonamide?
The IUPAC name of 5-[4-(hydroxymethyl)phenyl]-4-(2H-tetrazol-5-yl)pyridine-3-sulfonamide (CID 118257448) is 5-[4-(hydroxymethyl)phenyl]-4-(2H-tetrazol-5-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-[4-(hydroxymethyl)phenyl]-4-(2H-tetrazol-5-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5-[4-(hydroxymethyl)phenyl]-4-(2H-tetrazol-5-yl)pyridine-3-sulfonamide is NS(=O)(=O)c1cncc(-c2ccc(CO)cc2)c1-c1nn[nH]n1.
What is the InChIKey of 5-[4-(hydroxymethyl)phenyl]-4-(2H-tetrazol-5-yl)pyridine-3-sulfonamide?
The InChIKey is IPEWPEWBTFTKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O3S/c14-23(21,22)11-6-15-5-10(12(11)13-16-18-19-17-13)9-3-1-8(7-20)2-4-9/h1-6,20H,7H2,(H2,14,21,22)(H,16,17,18,19).
What are the key properties of 5-[4-(hydroxymethyl)phenyl]-4-(2H-tetrazol-5-yl)pyridine-3-sulfonamide?
5-[4-(hydroxymethyl)phenyl]-4-(2H-tetrazol-5-yl)pyridine-3-sulfonamide has a molecular weight of 332.35 g/mol, XLogP of 0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(hydroxymethyl)phenyl]-4-(2H-tetrazol-5-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 118257448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).