N-(2-aminobutyl)-4-cyclohexylbenzenesulfonamide

C16H26N2O2S — CID 63731804

IUPACN-(2-aminobutyl)-4-cyclohexylbenzenesulfonamide
SMILESCCC(N)CNS(=O)(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-2-15(17)12-18-21(19,20)16-10-8-14(9-11-16)13-6-4-3-5-7-13/h8-11,13,15,18H,2-7,12,17H2,1H3
InChIKeyRYXHEPVZUKBMOI-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.75
Rot. Bonds6

About N-(2-aminobutyl)-4-cyclohexylbenzenesulfonamide

N-(2-aminobutyl)-4-cyclohexylbenzenesulfonamide (PubChem CID 63731804) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-(2-aminobutyl)-4-cyclohexylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminobutyl)-4-cyclohexylbenzenesulfonamide
PubChem CID63731804
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-(2-aminobutyl)-4-cyclohexylbenzenesulfonamide
SMILESCCC(N)CNS(=O)(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-2-15(17)12-18-21(19,20)16-10-8-14(9-11-16)13-6-4-3-5-7-13/h8-11,13,15,18H,2-7,12,17H2,1H3
InChIKeyRYXHEPVZUKBMOI-UHFFFAOYSA-N
XLogP2.75
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclohexyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzenesulfonamide
CID 24563832
N-(2-aminobutyl)-4-(trifluoromethyl)benzenesulfonamide
CID 55229724
N-[2-[(4-cyclohexylphenyl)sulfonylamino]ethyl]-2-methylpropanamide
CID 33145606
N-(cyclohexen-1-ylmethyl)-4-cyclohexylbenzenesulfonamide
CID 25248828
4-[[(4-cyclohexylphenyl)sulfonylamino]methyl]-N-ethylbenzamide
CID 52708157
4-cyclohexyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)benzenesulfonamide
CID 78833551
N-(2-aminobutyl)-3-fluorobenzenesulfonamide
CID 63731601
N-(2-aminobutyl)-2-chloro-5-methylsulfonylbenzenesulfonamide
CID 63730770
2-[(4-cyclohexylphenyl)sulfonylamino]oxyacetic acid
CID 60661371
N-(2-aminobutyl)-3,5-dichlorobenzenesulfonamide
CID 63730553
CID 67861960
CID 67861960
propan-2-yl 4-[(4-cyclohexylphenyl)sulfonylamino]benzoate
CID 7938910

Frequently Asked Questions

What is the IUPAC name of N-(2-aminobutyl)-4-cyclohexylbenzenesulfonamide?
The IUPAC name of N-(2-aminobutyl)-4-cyclohexylbenzenesulfonamide (CID 63731804) is N-(2-aminobutyl)-4-cyclohexylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminobutyl)-4-cyclohexylbenzenesulfonamide?
The canonical SMILES for N-(2-aminobutyl)-4-cyclohexylbenzenesulfonamide is CCC(N)CNS(=O)(=O)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of N-(2-aminobutyl)-4-cyclohexylbenzenesulfonamide?
The InChIKey is RYXHEPVZUKBMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-2-15(17)12-18-21(19,20)16-10-8-14(9-11-16)13-6-4-3-5-7-13/h8-11,13,15,18H,2-7,12,17H2,1H3.
What are the key properties of N-(2-aminobutyl)-4-cyclohexylbenzenesulfonamide?
N-(2-aminobutyl)-4-cyclohexylbenzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminobutyl)-4-cyclohexylbenzenesulfonamide is sourced from PubChem (CID 63731804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).