1-(4-chlorophenyl)-N,N-diethyl-N'-(propylsulfamoyl)ethane-1,2-diamine

C15H26ClN3O2S — CID 110621877

IUPAC1-(4-chlorophenyl)-N,N-diethyl-N'-(propylsulfamoyl)ethane-1,2-diamine
SMILESCCCNS(=O)(=O)NCC(c1ccc(Cl)cc1)N(CC)CC
InChIInChI=1S/C15H26ClN3O2S/c1-4-11-17-22(20,21)18-12-15(19(5-2)6-3)13-7-9-14(16)10-8-13/h7-10,15,17-18H,4-6,11-12H2,1-3H3
InChIKeyMFXLEVAYJYYIDU-UHFFFAOYSA-N
MW347.91 g/mol
LogP2.56
Rot. Bonds10

About 1-(4-chlorophenyl)-N,N-diethyl-N'-(propylsulfamoyl)ethane-1,2-diamine

1-(4-chlorophenyl)-N,N-diethyl-N'-(propylsulfamoyl)ethane-1,2-diamine (PubChem CID 110621877) has the molecular formula C15H26ClN3O2S and a molecular weight of 347.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N,N-diethyl-N'-(propylsulfamoyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N,N-diethyl-N'-(propylsulfamoyl)ethane-1,2-diamine
PubChem CID110621877
Molecular FormulaC15H26ClN3O2S
Molecular Weight347.91 g/mol
Exact Mass347.14
IUPAC Name1-(4-chlorophenyl)-N,N-diethyl-N'-(propylsulfamoyl)ethane-1,2-diamine
SMILESCCCNS(=O)(=O)NCC(c1ccc(Cl)cc1)N(CC)CC
InChIInChI=1S/C15H26ClN3O2S/c1-4-11-17-22(20,21)18-12-15(19(5-2)6-3)13-7-9-14(16)10-8-13/h7-10,15,17-18H,4-6,11-12H2,1-3H3
InChIKeyMFXLEVAYJYYIDU-UHFFFAOYSA-N
XLogP2.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.91
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(2R)-2-(diethylamino)-2-phenylethyl]benzenesulfonamide
CID 2198403
4-chloro-N-[(2S)-2-(diethylamino)-2-phenylethyl]benzenesulfonamide
CID 2198405
N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propane-1-sulfonamide
CID 112503735
1-(4-chlorophenyl)-N,N-diethyl-N'-octylethane-1,2-diamine
CID 110827055
1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N,N-diethylethane-1,2-diamine
CID 110826506
2-phenyl-3-(propylsulfamoylamino)propanoic acid
CID 114805983
1-(4-chlorophenyl)-N,N-diethyl-N'-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 110826249
N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1-phenylmethanesulfonamide
CID 112503744
N-[2-(4-chlorophenyl)-2-(diethylamino)ethyl]-2-fluorobenzamide
CID 112503768
N'-(ethylsulfamoyl)-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 110620930
1-(2-chlorophenyl)-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]methanesulfonamide
CID 112503749
N-[2-(diethylamino)-2-phenylethyl]-2-hydroxyethanesulfonamide
CID 79588864

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N,N-diethyl-N'-(propylsulfamoyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-chlorophenyl)-N,N-diethyl-N'-(propylsulfamoyl)ethane-1,2-diamine (CID 110621877) is 1-(4-chlorophenyl)-N,N-diethyl-N'-(propylsulfamoyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N,N-diethyl-N'-(propylsulfamoyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-chlorophenyl)-N,N-diethyl-N'-(propylsulfamoyl)ethane-1,2-diamine is CCCNS(=O)(=O)NCC(c1ccc(Cl)cc1)N(CC)CC.
What is the InChIKey of 1-(4-chlorophenyl)-N,N-diethyl-N'-(propylsulfamoyl)ethane-1,2-diamine?
The InChIKey is MFXLEVAYJYYIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3O2S/c1-4-11-17-22(20,21)18-12-15(19(5-2)6-3)13-7-9-14(16)10-8-13/h7-10,15,17-18H,4-6,11-12H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-N,N-diethyl-N'-(propylsulfamoyl)ethane-1,2-diamine?
1-(4-chlorophenyl)-N,N-diethyl-N'-(propylsulfamoyl)ethane-1,2-diamine has a molecular weight of 347.91 g/mol, XLogP of 2.56, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N,N-diethyl-N'-(propylsulfamoyl)ethane-1,2-diamine is sourced from PubChem (CID 110621877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).