N-[2-[cyclohexyl(methyl)amino]-2-phenylethyl]benzenesulfonamide

C21H28N2O2S — CID 23604897

IUPACN-[2-[cyclohexyl(methyl)amino]-2-phenylethyl]benzenesulfonamide
SMILESCN(C1CCCCC1)C(CNS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28N2O2S/c1-23(19-13-7-3-8-14-19)21(18-11-5-2-6-12-18)17-22-26(24,25)20-15-9-4-10-16-20/h2,4-6,9-12,15-16,19,21-22H,3,7-8,13-14,17H2,1H3
InChIKeyUIRLWVFWJOOSFG-UHFFFAOYSA-N
MW372.53 g/mol
LogP3.97
Rot. Bonds7

About N-[2-[cyclohexyl(methyl)amino]-2-phenylethyl]benzenesulfonamide

N-[2-[cyclohexyl(methyl)amino]-2-phenylethyl]benzenesulfonamide (PubChem CID 23604897) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is N-[2-[cyclohexyl(methyl)amino]-2-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[cyclohexyl(methyl)amino]-2-phenylethyl]benzenesulfonamide
PubChem CID23604897
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC NameN-[2-[cyclohexyl(methyl)amino]-2-phenylethyl]benzenesulfonamide
SMILESCN(C1CCCCC1)C(CNS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28N2O2S/c1-23(19-13-7-3-8-14-19)21(18-11-5-2-6-12-18)17-22-26(24,25)20-15-9-4-10-16-20/h2,4-6,9-12,15-16,19,21-22H,3,7-8,13-14,17H2,1H3
InChIKeyUIRLWVFWJOOSFG-UHFFFAOYSA-N
XLogP3.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(Methylamino)ethyl]benzene-1-sulfonamide
CID 4961836
Cyclotriazadisulfonamide
CID 466371
N-benzyl-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide
CID 24886136
1-(Benzenesulfonyl)-4-benzylpiperazine
CID 711024
N-(1-Phenylethyl)benzenesulfonamide
CID 99969
(1S,2S)-(+)-N-p-Tosyl-1,2-diphenylethylenediamine
CID 6612782
4-[2-[(4-Methylsulfanylphenyl)methylamino]ethyl]benzenesulfonamide
CID 4719675
N-Benzyl-N-isopropyl-4-methyl-benzenesulfonamide
CID 668963
N-(2-Amino-1-methyl-1-phenyl-ethyl)-benzenesulfonamide
CID 3122816
1-(2-Phenylethyl)-4-(phenylsulfonyl)piperazine
CID 6467663
N-[(2S)-1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 16242636
N-[2-(azepan-1-yl)-2-phenylethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 49862577

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclohexyl(methyl)amino]-2-phenylethyl]benzenesulfonamide?
The IUPAC name of N-[2-[cyclohexyl(methyl)amino]-2-phenylethyl]benzenesulfonamide (CID 23604897) is N-[2-[cyclohexyl(methyl)amino]-2-phenylethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[cyclohexyl(methyl)amino]-2-phenylethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[cyclohexyl(methyl)amino]-2-phenylethyl]benzenesulfonamide is CN(C1CCCCC1)C(CNS(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-[cyclohexyl(methyl)amino]-2-phenylethyl]benzenesulfonamide?
The InChIKey is UIRLWVFWJOOSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-23(19-13-7-3-8-14-19)21(18-11-5-2-6-12-18)17-22-26(24,25)20-15-9-4-10-16-20/h2,4-6,9-12,15-16,19,21-22H,3,7-8,13-14,17H2,1H3.
What are the key properties of N-[2-[cyclohexyl(methyl)amino]-2-phenylethyl]benzenesulfonamide?
N-[2-[cyclohexyl(methyl)amino]-2-phenylethyl]benzenesulfonamide has a molecular weight of 372.53 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclohexyl(methyl)amino]-2-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 23604897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).