3-pyridin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide

C12H10N6O2S — CID 171344422

IUPAC3-pyridin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccncc2)c1-c1nn[nH]n1
InChIInChI=1S/C12H10N6O2S/c13-21(19,20)10-3-1-2-9(8-4-6-14-7-5-8)11(10)12-15-17-18-16-12/h1-7H,(H2,13,19,20)(H,15,16,17,18)
InChIKeyUZGIWRRONVEMJM-UHFFFAOYSA-N
MW302.32 g/mol
LogP0.58
Rot. Bonds3

About 3-pyridin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide

3-pyridin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 171344422) has the molecular formula C12H10N6O2S and a molecular weight of 302.32 g/mol. Its IUPAC name is 3-pyridin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-pyridin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID171344422
Molecular FormulaC12H10N6O2S
Molecular Weight302.32 g/mol
Exact Mass302.06
IUPAC Name3-pyridin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccncc2)c1-c1nn[nH]n1
InChIInChI=1S/C12H10N6O2S/c13-21(19,20)10-3-1-2-9(8-4-6-14-7-5-8)11(10)12-15-17-18-16-12/h1-7H,(H2,13,19,20)(H,15,16,17,18)
InChIKeyUZGIWRRONVEMJM-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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Related Compounds

2-(2H-tetrazol-5-yl)-3-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 122687798
3-[4-(3-aminopropyl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266200
3-quinolin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266312
3-(6-aminopyrazin-2-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118265360
3-imidazo[1,2-a]pyridin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266109
3-(1-aminoisoquinolin-7-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118257012
3-(6-methoxy-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266069
3-(3-methylimidazol-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266442
3-(1H-pyrazolo[3,4-b]pyridin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266097
3-(1H-indazol-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266110
2-[methyl-[[4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]acetic acid
CID 118266555
3-(4-methylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonic acid
CID 171351889

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-pyridin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 171344422) is 3-pyridin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-pyridin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-pyridin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide is NS(=O)(=O)c1cccc(-c2ccncc2)c1-c1nn[nH]n1.
What is the InChIKey of 3-pyridin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is UZGIWRRONVEMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O2S/c13-21(19,20)10-3-1-2-9(8-4-6-14-7-5-8)11(10)12-15-17-18-16-12/h1-7H,(H2,13,19,20)(H,15,16,17,18).
What are the key properties of 3-pyridin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
3-pyridin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide 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 3-pyridin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 171344422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).