N-(2-cyclohexylethyl)-4-(1-hydroxyethyl)benzenesulfonamide

C16H25NO3S — CID 60917467

IUPACN-(2-cyclohexylethyl)-4-(1-hydroxyethyl)benzenesulfonamide
SMILESCC(O)c1ccc(S(=O)(=O)NCCC2CCCCC2)cc1
InChIInChI=1S/C16H25NO3S/c1-13(18)15-7-9-16(10-8-15)21(19,20)17-12-11-14-5-3-2-4-6-14/h7-10,13-14,17-18H,2-6,11-12H2,1H3
InChIKeyGOOAEYZMJCCPFK-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.99
Rot. Bonds6

About N-(2-cyclohexylethyl)-4-(1-hydroxyethyl)benzenesulfonamide

N-(2-cyclohexylethyl)-4-(1-hydroxyethyl)benzenesulfonamide (PubChem CID 60917467) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-4-(1-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-4-(1-hydroxyethyl)benzenesulfonamide
PubChem CID60917467
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC NameN-(2-cyclohexylethyl)-4-(1-hydroxyethyl)benzenesulfonamide
SMILESCC(O)c1ccc(S(=O)(=O)NCCC2CCCCC2)cc1
InChIInChI=1S/C16H25NO3S/c1-13(18)15-7-9-16(10-8-15)21(19,20)17-12-11-14-5-3-2-4-6-14/h7-10,13-14,17-18H,2-6,11-12H2,1H3
InChIKeyGOOAEYZMJCCPFK-UHFFFAOYSA-N
XLogP2.99
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.99
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-(methylaminomethyl)benzenesulfonamide
CID 60915978
4-(1-hydroxyethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43546344
4-(1-hydroxyethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 80585886
4-(2-cyclohexylethylamino)-N-ethylbenzenesulfonamide
CID 60920186
methyl 2-[4-(2-cyclobutylethylsulfamoyl)phenyl]acetate
CID 115690444
N-[2-(ethylsulfamoyl)ethyl]-4-(1-hydroxyethyl)benzenesulfonamide
CID 106341929
4-(1-aminoethyl)-N-(cyclobutylmethyl)benzenesulfonamide
CID 43298854
2-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide
CID 43568111
4-amino-N-(2-cyclohexylethyl)-3-fluorobenzenesulfonamide
CID 82843865
5-(2-cyclohexylethylsulfamoyl)pyridine-2-carbothioamide
CID 114614203
N-[3-(diethylamino)propyl]-4-(1-hydroxyethyl)benzenesulfonamide
CID 43507419

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-4-(1-hydroxyethyl)benzenesulfonamide?
The IUPAC name of N-(2-cyclohexylethyl)-4-(1-hydroxyethyl)benzenesulfonamide (CID 60917467) is N-(2-cyclohexylethyl)-4-(1-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-cyclohexylethyl)-4-(1-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for N-(2-cyclohexylethyl)-4-(1-hydroxyethyl)benzenesulfonamide is CC(O)c1ccc(S(=O)(=O)NCCC2CCCCC2)cc1.
What is the InChIKey of N-(2-cyclohexylethyl)-4-(1-hydroxyethyl)benzenesulfonamide?
The InChIKey is GOOAEYZMJCCPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-13(18)15-7-9-16(10-8-15)21(19,20)17-12-11-14-5-3-2-4-6-14/h7-10,13-14,17-18H,2-6,11-12H2,1H3.
What are the key properties of N-(2-cyclohexylethyl)-4-(1-hydroxyethyl)benzenesulfonamide?
N-(2-cyclohexylethyl)-4-(1-hydroxyethyl)benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-4-(1-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 60917467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).