3-acetyl-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide

C15H21NO4S — CID 65109388

IUPAC3-acetyl-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCC2(O)CCCCC2)c1
InChIInChI=1S/C15H21NO4S/c1-12(17)13-6-5-7-14(10-13)21(19,20)16-11-15(18)8-3-2-4-9-15/h5-7,10,16,18H,2-4,8-9,11H2,1H3
InChIKeyXPKQZMSCQFUQGD-UHFFFAOYSA-N
MW311.40 g/mol
LogP1.86
Rot. Bonds5

About 3-acetyl-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide

3-acetyl-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide (PubChem CID 65109388) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is 3-acetyl-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
PubChem CID65109388
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name3-acetyl-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCC2(O)CCCCC2)c1
InChIInChI=1S/C15H21NO4S/c1-12(17)13-6-5-7-14(10-13)21(19,20)16-11-15(18)8-3-2-4-9-15/h5-7,10,16,18H,2-4,8-9,11H2,1H3
InChIKeyXPKQZMSCQFUQGD-UHFFFAOYSA-N
XLogP1.86
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65122167
3-acetyl-N-[(1-cyclopropylcyclopropyl)methyl]benzenesulfonamide
CID 103838022
3-acetyl-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 80527077
3-acetyl-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzenesulfonamide
CID 90499105
3-amino-N-[(1-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 113498452
1-(3-acetylphenyl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 51104053
N-[(1-hydroxycyclohexyl)methyl]-3-methylsulfonylbenzamide
CID 64866337
3-acetyl-N-[1-(aminomethyl)cyclopentyl]benzenesulfonamide
CID 63889591
3-(azepane-1-carbonyl)-N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]benzenesulfonamide
CID 97201837
3,4-dichloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 65117612
3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43420736
3-acetyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 78774480

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide (CID 65109388) is 3-acetyl-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)NCC2(O)CCCCC2)c1.
What is the InChIKey of 3-acetyl-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide?
The InChIKey is XPKQZMSCQFUQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-12(17)13-6-5-7-14(10-13)21(19,20)16-11-15(18)8-3-2-4-9-15/h5-7,10,16,18H,2-4,8-9,11H2,1H3.
What are the key properties of 3-acetyl-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide?
3-acetyl-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide has a molecular weight of 311.40 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide is sourced from PubChem (CID 65109388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).