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

C21H27ClN2O2S — CID 23604918

IUPAC4-chloro-N-[2-[cyclohexyl(methyl)amino]-2-phenylethyl]benzenesulfonamide
SMILESCN(C1CCCCC1)C(CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C21H27ClN2O2S/c1-24(19-10-6-3-7-11-19)21(17-8-4-2-5-9-17)16-23-27(25,26)20-14-12-18(22)13-15-20/h2,4-5,8-9,12-15,19,21,23H,3,6-7,10-11,16H2,1H3
InChIKeyVGUHAKIUPROFNV-UHFFFAOYSA-N
MW406.98 g/mol
LogP4.62
Rot. Bonds7

About 4-chloro-N-[2-[cyclohexyl(methyl)amino]-2-phenylethyl]benzenesulfonamide

4-chloro-N-[2-[cyclohexyl(methyl)amino]-2-phenylethyl]benzenesulfonamide (PubChem CID 23604918) has the molecular formula C21H27ClN2O2S and a molecular weight of 406.98 g/mol. Its IUPAC name is 4-chloro-N-[2-[cyclohexyl(methyl)amino]-2-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-[cyclohexyl(methyl)amino]-2-phenylethyl]benzenesulfonamide
PubChem CID23604918
Molecular FormulaC21H27ClN2O2S
Molecular Weight406.98 g/mol
Exact Mass406.15
IUPAC Name4-chloro-N-[2-[cyclohexyl(methyl)amino]-2-phenylethyl]benzenesulfonamide
SMILESCN(C1CCCCC1)C(CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C21H27ClN2O2S/c1-24(19-10-6-3-7-11-19)21(17-8-4-2-5-9-17)16-23-27(25,26)20-14-12-18(22)13-15-20/h2,4-5,8-9,12-15,19,21,23H,3,6-7,10-11,16H2,1H3
InChIKeyVGUHAKIUPROFNV-UHFFFAOYSA-N
XLogP4.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.98
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[cyclohexyl(methyl)amino]-2-phenylethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-[cyclohexyl(methyl)amino]-2-phenylethyl]benzenesulfonamide (CID 23604918) is 4-chloro-N-[2-[cyclohexyl(methyl)amino]-2-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-[cyclohexyl(methyl)amino]-2-phenylethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-[cyclohexyl(methyl)amino]-2-phenylethyl]benzenesulfonamide is CN(C1CCCCC1)C(CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 4-chloro-N-[2-[cyclohexyl(methyl)amino]-2-phenylethyl]benzenesulfonamide?
The InChIKey is VGUHAKIUPROFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O2S/c1-24(19-10-6-3-7-11-19)21(17-8-4-2-5-9-17)16-23-27(25,26)20-14-12-18(22)13-15-20/h2,4-5,8-9,12-15,19,21,23H,3,6-7,10-11,16H2,1H3.
What are the key properties of 4-chloro-N-[2-[cyclohexyl(methyl)amino]-2-phenylethyl]benzenesulfonamide?
4-chloro-N-[2-[cyclohexyl(methyl)amino]-2-phenylethyl]benzenesulfonamide has a molecular weight of 406.98 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[cyclohexyl(methyl)amino]-2-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 23604918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).