N-(2-cyclohexylethyl)-4-(methylaminomethyl)benzenesulfonamide

C16H26N2O2S — CID 60915978

IUPACN-(2-cyclohexylethyl)-4-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCCC2CCCCC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-17-13-15-7-9-16(10-8-15)21(19,20)18-12-11-14-5-3-2-4-6-14/h7-10,14,17-18H,2-6,11-13H2,1H3
InChIKeyZHMHPJVBDQDZLJ-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.65
Rot. Bonds7

About N-(2-cyclohexylethyl)-4-(methylaminomethyl)benzenesulfonamide

N-(2-cyclohexylethyl)-4-(methylaminomethyl)benzenesulfonamide (PubChem CID 60915978) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-4-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-4-(methylaminomethyl)benzenesulfonamide
PubChem CID60915978
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-(2-cyclohexylethyl)-4-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCCC2CCCCC2)cc1
InChIInChI=1S/C16H26N2O2S/c1-17-13-15-7-9-16(10-8-15)21(19,20)18-12-11-14-5-3-2-4-6-14/h7-10,14,17-18H,2-6,11-13H2,1H3
InChIKeyZHMHPJVBDQDZLJ-UHFFFAOYSA-N
XLogP2.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-cyclopentylethylsulfamoyl)benzenesulfonyl fluoride
CID 114958186
N-(2-cyclohexylethyl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 60917467
N-(3-cyclopentylpropyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106094503
methyl 2-[4-(2-cyclobutylethylsulfamoyl)phenyl]acetate
CID 115690444
4-(methylaminomethyl)-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 54935180
4-(2-cyclohexylethylamino)-N-ethylbenzenesulfonamide
CID 60920186
N-ethyl-4-(methylaminomethyl)benzenesulfonamide
CID 60821797
N-(cyclohexylmethyl)-4-ethylbenzenesulfonamide
CID 3776153
4-amino-N-(2-cyclohexylethyl)-3-fluorobenzenesulfonamide
CID 82843865
4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide
CID 54932320
4-(chloromethyl)-N-[2-[4-(2-piperidin-1-ylethyl)cyclohexyl]ethyl]benzenesulfonamide
CID 91252184
N-[(1,1-dioxothiolan-3-yl)methyl]-4-(methylaminomethyl)benzenesulfonamide
CID 62133818

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-4-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(2-cyclohexylethyl)-4-(methylaminomethyl)benzenesulfonamide (CID 60915978) is N-(2-cyclohexylethyl)-4-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-cyclohexylethyl)-4-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(2-cyclohexylethyl)-4-(methylaminomethyl)benzenesulfonamide is CNCc1ccc(S(=O)(=O)NCCC2CCCCC2)cc1.
What is the InChIKey of N-(2-cyclohexylethyl)-4-(methylaminomethyl)benzenesulfonamide?
The InChIKey is ZHMHPJVBDQDZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-17-13-15-7-9-16(10-8-15)21(19,20)18-12-11-14-5-3-2-4-6-14/h7-10,14,17-18H,2-6,11-13H2,1H3.
What are the key properties of N-(2-cyclohexylethyl)-4-(methylaminomethyl)benzenesulfonamide?
N-(2-cyclohexylethyl)-4-(methylaminomethyl)benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-4-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 60915978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).