4-(cyclohexylmethyl)-N-methyl-3-pyridin-4-ylbenzenesulfonamide

C19H24N2O2S — CID 157246135

IUPAC4-(cyclohexylmethyl)-N-methyl-3-pyridin-4-ylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2ccncc2)c1
InChIInChI=1S/C19H24N2O2S/c1-20-24(22,23)18-8-7-17(13-15-5-3-2-4-6-15)19(14-18)16-9-11-21-12-10-16/h7-12,14-15,20H,2-6,13H2,1H3
InChIKeyAVUFCPZZXAGUGB-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.78
Rot. Bonds5

About 4-(cyclohexylmethyl)-N-methyl-3-pyridin-4-ylbenzenesulfonamide

4-(cyclohexylmethyl)-N-methyl-3-pyridin-4-ylbenzenesulfonamide (PubChem CID 157246135) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-N-methyl-3-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-N-methyl-3-pyridin-4-ylbenzenesulfonamide
PubChem CID157246135
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name4-(cyclohexylmethyl)-N-methyl-3-pyridin-4-ylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2ccncc2)c1
InChIInChI=1S/C19H24N2O2S/c1-20-24(22,23)18-8-7-17(13-15-5-3-2-4-6-15)19(14-18)16-9-11-21-12-10-16/h7-12,14-15,20H,2-6,13H2,1H3
InChIKeyAVUFCPZZXAGUGB-UHFFFAOYSA-N
XLogP3.78
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclohexylmethyl)-N-methyl-3-pyridin-3-ylbenzenesulfonamide
CID 159194940
4-(cyclohexylmethyl)-N-methyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)benzenesulfonamide
CID 160818531
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-[(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
5-(cyclohexylmethyl)-6-(4-methylsulfonylphenyl)-1,3-benzodioxole
CID 10270631
4-amino-3-(cyclohexylmethoxy)-N-methylbenzenesulfonamide
CID 82901614
4-(cyclohexylamino)-3-(1H-imidazol-5-yl)-N-methylbenzenesulfonamide
CID 148692042
2-N,7-N-bis(cyclohexylmethyl)-9-oxofluorene-2,7-disulfonamide
CID 136590042
3-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide
CID 60920158
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(methylsulfamoyl)benzamide
CID 47060223

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-N-methyl-3-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of 4-(cyclohexylmethyl)-N-methyl-3-pyridin-4-ylbenzenesulfonamide (CID 157246135) is 4-(cyclohexylmethyl)-N-methyl-3-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for 4-(cyclohexylmethyl)-N-methyl-3-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for 4-(cyclohexylmethyl)-N-methyl-3-pyridin-4-ylbenzenesulfonamide is CNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2ccncc2)c1.
What is the InChIKey of 4-(cyclohexylmethyl)-N-methyl-3-pyridin-4-ylbenzenesulfonamide?
The InChIKey is AVUFCPZZXAGUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-20-24(22,23)18-8-7-17(13-15-5-3-2-4-6-15)19(14-18)16-9-11-21-12-10-16/h7-12,14-15,20H,2-6,13H2,1H3.
What are the key properties of 4-(cyclohexylmethyl)-N-methyl-3-pyridin-4-ylbenzenesulfonamide?
4-(cyclohexylmethyl)-N-methyl-3-pyridin-4-ylbenzenesulfonamide has a molecular weight of 344.48 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-N-methyl-3-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 157246135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).