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

C21H27Cl2N3O2S — CID 164862511

IUPAC4-(cyclopentylamino)-N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide
SMILESCN(C)C[C@H](NS(=O)(=O)c1ccc(NC2CCCC2)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H27Cl2N3O2S/c1-26(2)14-21(15-7-12-19(22)20(23)13-15)25-29(27,28)18-10-8-17(9-11-18)24-16-5-3-4-6-16/h7-13,16,21,24-25H,3-6,14H2,1-2H3/t21-/m0/s1
InChIKeySDBINDQMCDBIGN-NRFANRHFSA-N
MW456.44 g/mol
LogP4.93
Rot. Bonds8

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

4-(cyclopentylamino)-N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide (PubChem CID 164862511) has the molecular formula C21H27Cl2N3O2S and a molecular weight of 456.44 g/mol. Its IUPAC name is 4-(cyclopentylamino)-N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(cyclopentylamino)-N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide
PubChem CID164862511
Molecular FormulaC21H27Cl2N3O2S
Molecular Weight456.44 g/mol
Exact Mass455.12
IUPAC Name4-(cyclopentylamino)-N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide
SMILESCN(C)C[C@H](NS(=O)(=O)c1ccc(NC2CCCC2)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H27Cl2N3O2S/c1-26(2)14-21(15-7-12-19(22)20(23)13-15)25-29(27,28)18-10-8-17(9-11-18)24-16-5-3-4-6-16/h7-13,16,21,24-25H,3-6,14H2,1-2H3/t21-/m0/s1
InChIKeySDBINDQMCDBIGN-NRFANRHFSA-N
XLogP4.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.44
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclohexylamino)-N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide
CID 164861813
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-[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-4-(4-fluorophenoxy)benzenesulfonamide
CID 164862084
N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-4-pentylbenzenesulfonamide
CID 164862329
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
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
4-(cyclopentylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454135
4-(cyclohexylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454130

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylamino)-N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-(cyclopentylamino)-N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide (CID 164862511) is 4-(cyclopentylamino)-N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-(cyclopentylamino)-N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-(cyclopentylamino)-N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide is CN(C)C[C@H](NS(=O)(=O)c1ccc(NC2CCCC2)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(cyclopentylamino)-N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide?
The InChIKey is SDBINDQMCDBIGN-NRFANRHFSA-N. The full InChI is InChI=1S/C21H27Cl2N3O2S/c1-26(2)14-21(15-7-12-19(22)20(23)13-15)25-29(27,28)18-10-8-17(9-11-18)24-16-5-3-4-6-16/h7-13,16,21,24-25H,3-6,14H2,1-2H3/t21-/m0/s1.
What are the key properties of 4-(cyclopentylamino)-N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide?
4-(cyclopentylamino)-N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide has a molecular weight of 456.44 g/mol, XLogP of 4.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylamino)-N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 164862511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).