4-(2-aminoethyl)-N-cyclohexylbenzenesulfonamide

C14H22N2O2S — CID 16643216

IUPAC4-(2-aminoethyl)-N-cyclohexylbenzenesulfonamide
SMILESNCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C14H22N2O2S/c15-11-10-12-6-8-14(9-7-12)19(17,18)16-13-4-2-1-3-5-13/h6-9,13,16H,1-5,10-11,15H2
InChIKeyWEHPTXUNRKDFRA-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.80
Rot. Bonds5

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

4-(2-aminoethyl)-N-cyclohexylbenzenesulfonamide (PubChem CID 16643216) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-cyclohexylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-cyclohexylbenzenesulfonamide
PubChem CID16643216
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name4-(2-aminoethyl)-N-cyclohexylbenzenesulfonamide
SMILESNCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C14H22N2O2S/c15-11-10-12-6-8-14(9-7-12)19(17,18)16-13-4-2-1-3-5-13/h6-9,13,16H,1-5,10-11,15H2
InChIKeyWEHPTXUNRKDFRA-UHFFFAOYSA-N
XLogP1.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-cyclohexylbenzenesulfonamide
CID 16781327
N-cyclooctyl-4-propylbenzenesulfonamide
CID 19681104
4-amino-N-cyclodecylbenzenesulfonamide
CID 90455423
3-[4-(cyclohexylsulfamoyl)phenyl]propanoate
CID 7330268
4-N-cyclohexyl-1-N-(2-phenylethyl)benzene-1,4-disulfonamide
CID 1429121
N-cycloheptyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715786
4-(3-aminopropyl)-N-(3-methylcyclohexyl)benzenesulfonamide
CID 106027391
N-cyclohexyl-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110407179
4-(2-aminoethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 79185146
4-(1-aminoethyl)-N-cycloheptylbenzenesulfonamide
CID 43167801
4-(3-aminoprop-1-ynyl)-N-cyclopentylbenzenesulfonamide
CID 60844096
N-cycloheptyl-4-(methylamino)benzenesulfonamide
CID 15049673

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-cyclohexylbenzenesulfonamide?
The IUPAC name of 4-(2-aminoethyl)-N-cyclohexylbenzenesulfonamide (CID 16643216) is 4-(2-aminoethyl)-N-cyclohexylbenzenesulfonamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-cyclohexylbenzenesulfonamide?
The canonical SMILES for 4-(2-aminoethyl)-N-cyclohexylbenzenesulfonamide is NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1.
What is the InChIKey of 4-(2-aminoethyl)-N-cyclohexylbenzenesulfonamide?
The InChIKey is WEHPTXUNRKDFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c15-11-10-12-6-8-14(9-7-12)19(17,18)16-13-4-2-1-3-5-13/h6-9,13,16H,1-5,10-11,15H2.
What are the key properties of 4-(2-aminoethyl)-N-cyclohexylbenzenesulfonamide?
4-(2-aminoethyl)-N-cyclohexylbenzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-cyclohexylbenzenesulfonamide is sourced from PubChem (CID 16643216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).