6-cyclohexyl-3-quinolin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide

C22H22N6O2S — CID 118257127

IUPAC6-cyclohexyl-3-quinolin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(C2CCCCC2)ccc(-c2ccnc3ccccc23)c1-c1nn[nH]n1
InChIInChI=1S/C22H22N6O2S/c23-31(29,30)21-15(14-6-2-1-3-7-14)10-11-18(20(21)22-25-27-28-26-22)16-12-13-24-19-9-5-4-8-17(16)19/h4-5,8-14H,1-3,6-7H2,(H2,23,29,30)(H,25,26,27,28)
InChIKeyUZUICMGGMAONJT-UHFFFAOYSA-N
MW434.53 g/mol
LogP3.78
Rot. Bonds4

About 6-cyclohexyl-3-quinolin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide

6-cyclohexyl-3-quinolin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 118257127) has the molecular formula C22H22N6O2S and a molecular weight of 434.53 g/mol. Its IUPAC name is 6-cyclohexyl-3-quinolin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name6-cyclohexyl-3-quinolin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID118257127
Molecular FormulaC22H22N6O2S
Molecular Weight434.53 g/mol
Exact Mass434.15
IUPAC Name6-cyclohexyl-3-quinolin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(C2CCCCC2)ccc(-c2ccnc3ccccc23)c1-c1nn[nH]n1
InChIInChI=1S/C22H22N6O2S/c23-31(29,30)21-15(14-6-2-1-3-7-14)10-11-18(20(21)22-25-27-28-26-22)16-12-13-24-19-9-5-4-8-17(16)19/h4-5,8-14H,1-3,6-7H2,(H2,23,29,30)(H,25,26,27,28)
InChIKeyUZUICMGGMAONJT-UHFFFAOYSA-N
XLogP3.78
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-cyclohexyl-3-quinolin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-3-quinolin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 6-cyclohexyl-3-quinolin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 118257127) is 6-cyclohexyl-3-quinolin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 6-cyclohexyl-3-quinolin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 6-cyclohexyl-3-quinolin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide is NS(=O)(=O)c1c(C2CCCCC2)ccc(-c2ccnc3ccccc23)c1-c1nn[nH]n1.
What is the InChIKey of 6-cyclohexyl-3-quinolin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is UZUICMGGMAONJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2S/c23-31(29,30)21-15(14-6-2-1-3-7-14)10-11-18(20(21)22-25-27-28-26-22)16-12-13-24-19-9-5-4-8-17(16)19/h4-5,8-14H,1-3,6-7H2,(H2,23,29,30)(H,25,26,27,28).
What are the key properties of 6-cyclohexyl-3-quinolin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
6-cyclohexyl-3-quinolin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 434.53 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-3-quinolin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 118257127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).