4-(cyclohexylmethyl)-N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide

C17H24N4O2S — CID 160818531

IUPAC4-(cyclohexylmethyl)-N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2n[nH]c(C)n2)c1
InChIInChI=1S/C17H24N4O2S/c1-12-19-17(21-20-12)16-11-15(24(22,23)18-2)9-8-14(16)10-13-6-4-3-5-7-13/h8-9,11,13,18H,3-7,10H2,1-2H3,(H,19,20,21)
InChIKeyUCKHTFMTVGQYSH-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.81
Rot. Bonds5

About 4-(cyclohexylmethyl)-N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide

4-(cyclohexylmethyl)-N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide (PubChem CID 160818531) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
PubChem CID160818531
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name4-(cyclohexylmethyl)-N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2n[nH]c(C)n2)c1
InChIInChI=1S/C17H24N4O2S/c1-12-19-17(21-20-12)16-11-15(24(22,23)18-2)9-8-14(16)10-13-6-4-3-5-7-13/h8-9,11,13,18H,3-7,10H2,1-2H3,(H,19,20,21)
InChIKeyUCKHTFMTVGQYSH-UHFFFAOYSA-N
XLogP2.81
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclohexylmethyl)-N-methyl-3-pyridin-4-ylbenzenesulfonamide
CID 157246135
4-(cyclohexylmethyl)-3-[2-(2-fluoroethyl)tetrazol-5-yl]-N-methylbenzenesulfonamide
CID 159428193
4-(cyclohexylmethyl)-3-[2-(4-fluorophenyl)tetrazol-5-yl]-N-methylbenzenesulfonamide
CID 159889034
4-(cyclohexylmethyl)-N-methyl-3-pyridin-3-ylbenzenesulfonamide
CID 159194940
4-[(3,3-difluorocyclohexyl)methyl]-N-methyl-3-(2H-tetrazol-5-yl)benzenesulfonamide
CID 159929577
bromoethane;4-(cyclohexylamino)-N-methyl-3-(2H-tetrazol-5-yl)benzenesulfonamide;4-(cyclohexylmethyl)-3-(2-ethyltetrazol-5-yl)-N-methylbenzenesulfonamide;methane
CID 157072938
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(methylsulfamoyl)benzamide
CID 47060223
1-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-[3-(methylsulfamoyl)phenyl]urea
CID 126767720
4-tert-butyl-N-[4-chloro-2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzenesulfonamide
CID 24994499
4-(aminomethyl)-N-(cyclohexylmethyl)-3-methylbenzenesulfonamide
CID 106919131
4-amino-3-(cyclohexylmethoxy)-N-methylbenzenesulfonamide
CID 82901614
4-(cyclohexylmethyl)-N-methyl-3-[2-(1-methylsulfonylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-(2-piperidin-4-yltetrazol-5-yl)benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-prop-1-en-2-ylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide;4-(cyclohexylmethyl)-N-methyl-3-[2-(1-pyridin-3-ylpiperidin-4-yl)tetrazol-5-yl]benzenesulfonamide
CID 163579095

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-(cyclohexylmethyl)-N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide (CID 160818531) is 4-(cyclohexylmethyl)-N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(cyclohexylmethyl)-N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(cyclohexylmethyl)-N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide is CNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2n[nH]c(C)n2)c1.
What is the InChIKey of 4-(cyclohexylmethyl)-N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide?
The InChIKey is UCKHTFMTVGQYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-12-19-17(21-20-12)16-11-15(24(22,23)18-2)9-8-14(16)10-13-6-4-3-5-7-13/h8-9,11,13,18H,3-7,10H2,1-2H3,(H,19,20,21).
What are the key properties of 4-(cyclohexylmethyl)-N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide?
4-(cyclohexylmethyl)-N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide has a molecular weight of 348.47 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 160818531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).