N-(2-acetyl-5-phenylphenyl)cyclohexene-1-sulfonamide

C20H21NO3S — CID 158569151

IUPACN-(2-acetyl-5-phenylphenyl)cyclohexene-1-sulfonamide
SMILESCC(=O)c1ccc(-c2ccccc2)cc1NS(=O)(=O)C1=CCCCC1
InChIInChI=1S/C20H21NO3S/c1-15(22)19-13-12-17(16-8-4-2-5-9-16)14-20(19)21-25(23,24)18-10-6-3-7-11-18/h2,4-5,8-10,12-14,21H,3,6-7,11H2,1H3
InChIKeyHRWDEMLXBHYNNB-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.76
Rot. Bonds5

About N-(2-acetyl-5-phenylphenyl)cyclohexene-1-sulfonamide

N-(2-acetyl-5-phenylphenyl)cyclohexene-1-sulfonamide (PubChem CID 158569151) has the molecular formula C20H21NO3S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-(2-acetyl-5-phenylphenyl)cyclohexene-1-sulfonamide.

Molecular Properties

Compound NameN-(2-acetyl-5-phenylphenyl)cyclohexene-1-sulfonamide
PubChem CID158569151
Molecular FormulaC20H21NO3S
Molecular Weight355.46 g/mol
Exact Mass355.12
IUPAC NameN-(2-acetyl-5-phenylphenyl)cyclohexene-1-sulfonamide
SMILESCC(=O)c1ccc(-c2ccccc2)cc1NS(=O)(=O)C1=CCCCC1
InChIInChI=1S/C20H21NO3S/c1-15(22)19-13-12-17(16-8-4-2-5-9-16)14-20(19)21-25(23,24)18-10-6-3-7-11-18/h2,4-5,8-10,12-14,21H,3,6-7,11H2,1H3
InChIKeyHRWDEMLXBHYNNB-UHFFFAOYSA-N
XLogP4.76
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzenesulfonamido)-4-phenylbenzamide
CID 70022066
4-phenyl-2-(2,3,4,5-tetrahydro-1-benzoxepin-7-ylsulfonylamino)benzoic acid
CID 158681936
1-[2-methyl-4-(4-phenylphenyl)phenyl]ethanone
CID 20716213
2-[(1-methylindol-5-yl)sulfonylamino]-4-phenylbenzoic acid
CID 159273501
N-(2-acetylphenyl)-3-methylbenzenesulfonamide
CID 24694730
methyl 2-(cyclobutylmethylsulfonylamino)-4-phenylbenzoate
CID 153492288
1-(2-cyclopentyl-4-phenylphenyl)ethanone
CID 134842938
2-[(4-phenylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 68866403
5-fluoro-2-[[4-(3-methylphenyl)phenyl]sulfonylamino]benzoic acid
CID 171346728
2-acetamido-5-phenylbenzoic acid
CID 70700127
3-[4-[(2-acetylphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 4237126
N-(2-methylpropyl)cyclohexene-1-sulfonamide
CID 18792230

Frequently Asked Questions

What is the IUPAC name of N-(2-acetyl-5-phenylphenyl)cyclohexene-1-sulfonamide?
The IUPAC name of N-(2-acetyl-5-phenylphenyl)cyclohexene-1-sulfonamide (CID 158569151) is N-(2-acetyl-5-phenylphenyl)cyclohexene-1-sulfonamide.
What is the SMILES notation for N-(2-acetyl-5-phenylphenyl)cyclohexene-1-sulfonamide?
The canonical SMILES for N-(2-acetyl-5-phenylphenyl)cyclohexene-1-sulfonamide is CC(=O)c1ccc(-c2ccccc2)cc1NS(=O)(=O)C1=CCCCC1.
What is the InChIKey of N-(2-acetyl-5-phenylphenyl)cyclohexene-1-sulfonamide?
The InChIKey is HRWDEMLXBHYNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3S/c1-15(22)19-13-12-17(16-8-4-2-5-9-16)14-20(19)21-25(23,24)18-10-6-3-7-11-18/h2,4-5,8-10,12-14,21H,3,6-7,11H2,1H3.
What are the key properties of N-(2-acetyl-5-phenylphenyl)cyclohexene-1-sulfonamide?
N-(2-acetyl-5-phenylphenyl)cyclohexene-1-sulfonamide has a molecular weight of 355.46 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetyl-5-phenylphenyl)cyclohexene-1-sulfonamide is sourced from PubChem (CID 158569151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).