4-tert-butyl-N-(cyclohexylmethyl)benzenesulfonamide

C17H27NO2S — CID 19684265

IUPAC4-tert-butyl-N-(cyclohexylmethyl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCC2CCCCC2)cc1
InChIInChI=1S/C17H27NO2S/c1-17(2,3)15-9-11-16(12-10-15)21(19,20)18-13-14-7-5-4-6-8-14/h9-12,14,18H,4-8,13H2,1-3H3
InChIKeyVCOYXQGLHRIXSI-UHFFFAOYSA-N
MW309.47 g/mol
LogP3.84
Rot. Bonds4

About 4-tert-butyl-N-(cyclohexylmethyl)benzenesulfonamide

4-tert-butyl-N-(cyclohexylmethyl)benzenesulfonamide (PubChem CID 19684265) has the molecular formula C17H27NO2S and a molecular weight of 309.47 g/mol. Its IUPAC name is 4-tert-butyl-N-(cyclohexylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(cyclohexylmethyl)benzenesulfonamide
PubChem CID19684265
Molecular FormulaC17H27NO2S
Molecular Weight309.47 g/mol
Exact Mass309.18
IUPAC Name4-tert-butyl-N-(cyclohexylmethyl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCC2CCCCC2)cc1
InChIInChI=1S/C17H27NO2S/c1-17(2,3)15-9-11-16(12-10-15)21(19,20)18-13-14-7-5-4-6-8-14/h9-12,14,18H,4-8,13H2,1-3H3
InChIKeyVCOYXQGLHRIXSI-UHFFFAOYSA-N
XLogP3.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(cyclohexylmethyl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(cyclohexylmethyl)benzenesulfonamide (CID 19684265) is 4-tert-butyl-N-(cyclohexylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(cyclohexylmethyl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(cyclohexylmethyl)benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)NCC2CCCCC2)cc1.
What is the InChIKey of 4-tert-butyl-N-(cyclohexylmethyl)benzenesulfonamide?
The InChIKey is VCOYXQGLHRIXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-17(2,3)15-9-11-16(12-10-15)21(19,20)18-13-14-7-5-4-6-8-14/h9-12,14,18H,4-8,13H2,1-3H3.
What are the key properties of 4-tert-butyl-N-(cyclohexylmethyl)benzenesulfonamide?
4-tert-butyl-N-(cyclohexylmethyl)benzenesulfonamide has a molecular weight of 309.47 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(cyclohexylmethyl)benzenesulfonamide is sourced from PubChem (CID 19684265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).