4-(cyclohexylamino)-N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide

C22H29Cl2N3O2S — CID 164861813

IUPAC4-(cyclohexylamino)-N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide
SMILESCN(C)C[C@H](NS(=O)(=O)c1ccc(NC2CCCCC2)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H29Cl2N3O2S/c1-27(2)15-22(16-8-13-20(23)21(24)14-16)26-30(28,29)19-11-9-18(10-12-19)25-17-6-4-3-5-7-17/h8-14,17,22,25-26H,3-7,15H2,1-2H3/t22-/m0/s1
InChIKeyUZOWNXJLPBOUNE-QFIPXVFZSA-N
MW470.47 g/mol
LogP5.32
Rot. Bonds8

About 4-(cyclohexylamino)-N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide

4-(cyclohexylamino)-N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide (PubChem CID 164861813) has the molecular formula C22H29Cl2N3O2S and a molecular weight of 470.47 g/mol. Its IUPAC name is 4-(cyclohexylamino)-N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(cyclohexylamino)-N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide
PubChem CID164861813
Molecular FormulaC22H29Cl2N3O2S
Molecular Weight470.47 g/mol
Exact Mass469.14
IUPAC Name4-(cyclohexylamino)-N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide
SMILESCN(C)C[C@H](NS(=O)(=O)c1ccc(NC2CCCCC2)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H29Cl2N3O2S/c1-27(2)15-22(16-8-13-20(23)21(24)14-16)26-30(28,29)19-11-9-18(10-12-19)25-17-6-4-3-5-7-17/h8-14,17,22,25-26H,3-7,15H2,1-2H3/t22-/m0/s1
InChIKeyUZOWNXJLPBOUNE-QFIPXVFZSA-N
XLogP5.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.47
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopentylamino)-N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide
CID 164862511
N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-4-fluorobenzenesulfonamide
CID 164861902
N-[(1S)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-4-phenoxybenzenesulfonamide
CID 164861909
N-[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-3,5-difluorobenzenesulfonamide
CID 164862062
N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-4-pentylbenzenesulfonamide
CID 164862329
N-[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-4-(4-fluorophenoxy)benzenesulfonamide
CID 164862084
4-[[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]-N-phenylbenzamide
CID 164861878
N-[2-[cyclobutyloxymethyl(methyl)amino]-1-(3,4-dichlorophenyl)ethyl]benzenesulfonamide
CID 171593499
4-(cyclohexylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454130
4-(cycloheptylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454160
N-[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 164862402
N-[2-[cyclopropyloxymethyl(methyl)amino]-1-(3,4-dichlorophenyl)ethyl]benzenesulfonamide
CID 171593445

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-(cyclohexylamino)-N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide (CID 164861813) is 4-(cyclohexylamino)-N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-(cyclohexylamino)-N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-(cyclohexylamino)-N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide is CN(C)C[C@H](NS(=O)(=O)c1ccc(NC2CCCCC2)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(cyclohexylamino)-N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide?
The InChIKey is UZOWNXJLPBOUNE-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H29Cl2N3O2S/c1-27(2)15-22(16-8-13-20(23)21(24)14-16)26-30(28,29)19-11-9-18(10-12-19)25-17-6-4-3-5-7-17/h8-14,17,22,25-26H,3-7,15H2,1-2H3/t22-/m0/s1.
What are the key properties of 4-(cyclohexylamino)-N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide?
4-(cyclohexylamino)-N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide has a molecular weight of 470.47 g/mol, XLogP of 5.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 164861813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).