N-(cyclohexylmethyl)-4-methylbenzenesulfonamide

C14H21NO2S — CID 4056009

IUPACN-(cyclohexylmethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2CCCCC2)cc1
InChIInChI=1S/C14H21NO2S/c1-12-7-9-14(10-8-12)18(16,17)15-11-13-5-3-2-4-6-13/h7-10,13,15H,2-6,11H2,1H3
InChIKeyDFRIFPMABQYFCQ-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.85
Rot. Bonds4

About N-(cyclohexylmethyl)-4-methylbenzenesulfonamide

N-(cyclohexylmethyl)-4-methylbenzenesulfonamide (PubChem CID 4056009) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-methylbenzenesulfonamide
PubChem CID4056009
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-(cyclohexylmethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2CCCCC2)cc1
InChIInChI=1S/C14H21NO2S/c1-12-7-9-14(10-8-12)18(16,17)15-11-13-5-3-2-4-6-13/h7-10,13,15H,2-6,11H2,1H3
InChIKeyDFRIFPMABQYFCQ-UHFFFAOYSA-N
XLogP2.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(cyclohexylmethyl)-4-methylbenzenesulfonamide (CID 4056009) is N-(cyclohexylmethyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(cyclohexylmethyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(cyclohexylmethyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC2CCCCC2)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-4-methylbenzenesulfonamide?
The InChIKey is DFRIFPMABQYFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-12-7-9-14(10-8-12)18(16,17)15-11-13-5-3-2-4-6-13/h7-10,13,15H,2-6,11H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-4-methylbenzenesulfonamide?
N-(cyclohexylmethyl)-4-methylbenzenesulfonamide has a molecular weight of 267.39 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 4056009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).