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

C19H24N2O2S — CID 159194940

IUPAC4-(cyclohexylmethyl)-N-methyl-3-pyridin-3-ylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2cccnc2)c1
InChIInChI=1S/C19H24N2O2S/c1-20-24(22,23)18-10-9-16(12-15-6-3-2-4-7-15)19(13-18)17-8-5-11-21-14-17/h5,8-11,13-15,20H,2-4,6-7,12H2,1H3
InChIKeyKONWIVYCSFBTMH-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.78
Rot. Bonds5

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

4-(cyclohexylmethyl)-N-methyl-3-pyridin-3-ylbenzenesulfonamide (PubChem CID 159194940) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-N-methyl-3-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-N-methyl-3-pyridin-3-ylbenzenesulfonamide
PubChem CID159194940
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name4-(cyclohexylmethyl)-N-methyl-3-pyridin-3-ylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2cccnc2)c1
InChIInChI=1S/C19H24N2O2S/c1-20-24(22,23)18-10-9-16(12-15-6-3-2-4-7-15)19(13-18)17-8-5-11-21-14-17/h5,8-11,13-15,20H,2-4,6-7,12H2,1H3
InChIKeyKONWIVYCSFBTMH-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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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-N-methyl-3-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 4-(cyclohexylmethyl)-N-methyl-3-pyridin-3-ylbenzenesulfonamide (CID 159194940) is 4-(cyclohexylmethyl)-N-methyl-3-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-(cyclohexylmethyl)-N-methyl-3-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-(cyclohexylmethyl)-N-methyl-3-pyridin-3-ylbenzenesulfonamide is CNS(=O)(=O)c1ccc(CC2CCCCC2)c(-c2cccnc2)c1.
What is the InChIKey of 4-(cyclohexylmethyl)-N-methyl-3-pyridin-3-ylbenzenesulfonamide?
The InChIKey is KONWIVYCSFBTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-20-24(22,23)18-10-9-16(12-15-6-3-2-4-7-15)19(13-18)17-8-5-11-21-14-17/h5,8-11,13-15,20H,2-4,6-7,12H2,1H3.
What are the key properties of 4-(cyclohexylmethyl)-N-methyl-3-pyridin-3-ylbenzenesulfonamide?
4-(cyclohexylmethyl)-N-methyl-3-pyridin-3-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-3-ylbenzenesulfonamide is sourced from PubChem (CID 159194940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).