N-(4-oxocyclohexyl)-4-phenylbenzenesulfonamide

C18H19NO3S — CID 67130795

IUPACN-(4-oxocyclohexyl)-4-phenylbenzenesulfonamide
SMILESO=C1CCC(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C18H19NO3S/c20-17-10-8-16(9-11-17)19-23(21,22)18-12-6-15(7-13-18)14-4-2-1-3-5-14/h1-7,12-13,16,19H,8-11H2
InChIKeyALIIRMIXJUXYNN-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.14
Rot. Bonds4

About N-(4-oxocyclohexyl)-4-phenylbenzenesulfonamide

N-(4-oxocyclohexyl)-4-phenylbenzenesulfonamide (PubChem CID 67130795) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-(4-oxocyclohexyl)-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-oxocyclohexyl)-4-phenylbenzenesulfonamide
PubChem CID67130795
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC NameN-(4-oxocyclohexyl)-4-phenylbenzenesulfonamide
SMILESO=C1CCC(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C18H19NO3S/c20-17-10-8-16(9-11-17)19-23(21,22)18-12-6-15(7-13-18)14-4-2-1-3-5-14/h1-7,12-13,16,19H,8-11H2
InChIKeyALIIRMIXJUXYNN-UHFFFAOYSA-N
XLogP3.14
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-phenylbenzenesulfonamide
CID 110757630
4-(2,4-difluorophenyl)-N-(4-oxocyclohexyl)benzenesulfonamide
CID 45279229
N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 43653533
4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide
CID 171679381
4-phenyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzenesulfonamide
CID 55905638
N-[4-(cyclohexylsulfamoyl)phenyl]-2-(4-phenylphenoxy)acetamide
CID 4511876
4-(4-acetylphenyl)-N-cyclopentylbenzenesulfonamide
CID 110454111
N-(3-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide
CID 120724798
N-[4-(3-methyl-5-oxo-2-phenylpiperazine-1-carbonyl)cyclohexyl]-4-phenylbenzenesulfonamide
CID 58292002
N-(4-methylpiperidin-3-yl)-4-phenylbenzenesulfonamide;hydrochloride
CID 120722805
4-N-cyclopropyl-1-N-(3-phenylpropyl)benzene-1,4-disulfonamide
CID 134060499
N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685431

Frequently Asked Questions

What is the IUPAC name of N-(4-oxocyclohexyl)-4-phenylbenzenesulfonamide?
The IUPAC name of N-(4-oxocyclohexyl)-4-phenylbenzenesulfonamide (CID 67130795) is N-(4-oxocyclohexyl)-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-(4-oxocyclohexyl)-4-phenylbenzenesulfonamide?
The canonical SMILES for N-(4-oxocyclohexyl)-4-phenylbenzenesulfonamide is O=C1CCC(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of N-(4-oxocyclohexyl)-4-phenylbenzenesulfonamide?
The InChIKey is ALIIRMIXJUXYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S/c20-17-10-8-16(9-11-17)19-23(21,22)18-12-6-15(7-13-18)14-4-2-1-3-5-14/h1-7,12-13,16,19H,8-11H2.
What are the key properties of N-(4-oxocyclohexyl)-4-phenylbenzenesulfonamide?
N-(4-oxocyclohexyl)-4-phenylbenzenesulfonamide has a molecular weight of 329.42 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxocyclohexyl)-4-phenylbenzenesulfonamide is sourced from PubChem (CID 67130795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).