N-[cyclohexyl-(4-methylphenyl)methyl]benzenesulfonamide

C20H25NO2S — CID 11393771

IUPACN-[cyclohexyl-(4-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(C(NS(=O)(=O)c2ccccc2)C2CCCCC2)cc1
InChIInChI=1S/C20H25NO2S/c1-16-12-14-18(15-13-16)20(17-8-4-2-5-9-17)21-24(22,23)19-10-6-3-7-11-19/h3,6-7,10-15,17,20-21H,2,4-5,8-9H2,1H3
InChIKeyLOKYVUBGUBUQJX-UHFFFAOYSA-N
MW343.49 g/mol
LogP4.59
Rot. Bonds5

About N-[cyclohexyl-(4-methylphenyl)methyl]benzenesulfonamide

N-[cyclohexyl-(4-methylphenyl)methyl]benzenesulfonamide (PubChem CID 11393771) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is N-[cyclohexyl-(4-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[cyclohexyl-(4-methylphenyl)methyl]benzenesulfonamide
PubChem CID11393771
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC NameN-[cyclohexyl-(4-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(C(NS(=O)(=O)c2ccccc2)C2CCCCC2)cc1
InChIInChI=1S/C20H25NO2S/c1-16-12-14-18(15-13-16)20(17-8-4-2-5-9-17)21-24(22,23)19-10-6-3-7-11-19/h3,6-7,10-15,17,20-21H,2,4-5,8-9H2,1H3
InChIKeyLOKYVUBGUBUQJX-UHFFFAOYSA-N
XLogP4.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(benzenesulfonamido)-1,2-dicyclohexylethyl]benzenesulfonamide
CID 67266397
N-[(3-acetylphenyl)-cyclohexylmethyl]-4-methylbenzenesulfonamide
CID 134941304
N-[cyclopropyl-(4-methylphenyl)methyl]-4-ethylbenzenesulfonamide
CID 18131238
N-[(1R)-1-cycloheptylethyl]benzenesulfonamide
CID 81393099
4-methyl-N-[oxan-2-yl(phenyl)methyl]benzenesulfonamide
CID 101180255
N-[(1S)-1-cyclopentylethyl]benzenesulfonamide
CID 81388674
N-(2-amino-1-cyclohexylethyl)benzenesulfonamide
CID 61122381
2-(benzenesulfonamido)-2-cyclohexylacetic acid
CID 61015306
3-chloro-N-[(S)-cyclopropyl(phenyl)methyl]benzenesulfonamide
CID 30037407
1-cycloheptyl-N-methyl-1-(4-methylsulfonylphenyl)methanamine
CID 105027698
N-[cyclohexyl(phenyl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79107738
N-[(R)-[(1S)-2,2-dimethyl-6-oxocyclohexyl]-phenylmethyl]-4-methylbenzenesulfonamide
CID 102309490

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl-(4-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of N-[cyclohexyl-(4-methylphenyl)methyl]benzenesulfonamide (CID 11393771) is N-[cyclohexyl-(4-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[cyclohexyl-(4-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-[cyclohexyl-(4-methylphenyl)methyl]benzenesulfonamide is Cc1ccc(C(NS(=O)(=O)c2ccccc2)C2CCCCC2)cc1.
What is the InChIKey of N-[cyclohexyl-(4-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is LOKYVUBGUBUQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2S/c1-16-12-14-18(15-13-16)20(17-8-4-2-5-9-17)21-24(22,23)19-10-6-3-7-11-19/h3,6-7,10-15,17,20-21H,2,4-5,8-9H2,1H3.
What are the key properties of N-[cyclohexyl-(4-methylphenyl)methyl]benzenesulfonamide?
N-[cyclohexyl-(4-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 343.49 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl-(4-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 11393771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).