4-(1-cyclohexyl-3-hydroxyprop-1-en-2-yl)-N-methylbenzenesulfonamide

C16H23NO3S — CID 67084448

IUPAC4-(1-cyclohexyl-3-hydroxyprop-1-en-2-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C(=CC2CCCCC2)CO)cc1
InChIInChI=1S/C16H23NO3S/c1-17-21(19,20)16-9-7-14(8-10-16)15(12-18)11-13-5-3-2-4-6-13/h7-11,13,17-18H,2-6,12H2,1H3
InChIKeyDHKBELAASFRYGF-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.55
Rot. Bonds5

About 4-(1-cyclohexyl-3-hydroxyprop-1-en-2-yl)-N-methylbenzenesulfonamide

4-(1-cyclohexyl-3-hydroxyprop-1-en-2-yl)-N-methylbenzenesulfonamide (PubChem CID 67084448) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is 4-(1-cyclohexyl-3-hydroxyprop-1-en-2-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(1-cyclohexyl-3-hydroxyprop-1-en-2-yl)-N-methylbenzenesulfonamide
PubChem CID67084448
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name4-(1-cyclohexyl-3-hydroxyprop-1-en-2-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C(=CC2CCCCC2)CO)cc1
InChIInChI=1S/C16H23NO3S/c1-17-21(19,20)16-9-7-14(8-10-16)15(12-18)11-13-5-3-2-4-6-13/h7-11,13,17-18H,2-6,12H2,1H3
InChIKeyDHKBELAASFRYGF-UHFFFAOYSA-N
XLogP2.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-2-(6-methylsulfonyl-3-pyridinyl)prop-2-en-1-ol
CID 67484994
2-[N-cyclopentyl-4-(methylsulfamoyl)anilino]acetic acid
CID 60838327
4-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzenesulfonamide
CID 106362103
N-(2-amino-1-cyclohexylethyl)-4-(methylsulfamoyl)benzamide;hydrochloride
CID 119589468
4-(2-ethylpiperidine-1-carbonyl)-N-methylbenzenesulfonamide
CID 51218665
methyl 3-cycloheptyl-2-(4-methylsulfonylphenyl)prop-2-enoate
CID 54500614
N-cyclooctyl-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51180741
4-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-N-methylbenzenesulfonamide
CID 61409237
4-(methylsulfamoyl)benzamide
CID 43241290
4-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylbenzenesulfonamide
CID 61146694
4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide
CID 54932320
N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-4-(methylsulfamoyl)benzamide
CID 55954957

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclohexyl-3-hydroxyprop-1-en-2-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-(1-cyclohexyl-3-hydroxyprop-1-en-2-yl)-N-methylbenzenesulfonamide (CID 67084448) is 4-(1-cyclohexyl-3-hydroxyprop-1-en-2-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(1-cyclohexyl-3-hydroxyprop-1-en-2-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(1-cyclohexyl-3-hydroxyprop-1-en-2-yl)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(C(=CC2CCCCC2)CO)cc1.
What is the InChIKey of 4-(1-cyclohexyl-3-hydroxyprop-1-en-2-yl)-N-methylbenzenesulfonamide?
The InChIKey is DHKBELAASFRYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-17-21(19,20)16-9-7-14(8-10-16)15(12-18)11-13-5-3-2-4-6-13/h7-11,13,17-18H,2-6,12H2,1H3.
What are the key properties of 4-(1-cyclohexyl-3-hydroxyprop-1-en-2-yl)-N-methylbenzenesulfonamide?
4-(1-cyclohexyl-3-hydroxyprop-1-en-2-yl)-N-methylbenzenesulfonamide has a molecular weight of 309.43 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclohexyl-3-hydroxyprop-1-en-2-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 67084448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).