N'-(diethylsulfamoyl)-N'-[(3,4-difluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine

C15H25F2N3O2S — CID 86861119

IUPACN'-(diethylsulfamoyl)-N'-[(3,4-difluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine
SMILESCCN(CC)S(=O)(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1
InChIInChI=1S/C15H25F2N3O2S/c1-5-19(6-2)23(21,22)20(10-9-18(3)4)12-13-7-8-14(16)15(17)11-13/h7-8,11H,5-6,9-10,12H2,1-4H3
InChIKeyOSMHGKDWNYTZIM-UHFFFAOYSA-N
MW349.45 g/mol
LogP1.91
Rot. Bonds9

About N'-(diethylsulfamoyl)-N'-[(3,4-difluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine

N'-(diethylsulfamoyl)-N'-[(3,4-difluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine (PubChem CID 86861119) has the molecular formula C15H25F2N3O2S and a molecular weight of 349.45 g/mol. Its IUPAC name is N'-(diethylsulfamoyl)-N'-[(3,4-difluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(diethylsulfamoyl)-N'-[(3,4-difluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine
PubChem CID86861119
Molecular FormulaC15H25F2N3O2S
Molecular Weight349.45 g/mol
Exact Mass349.16
IUPAC NameN'-(diethylsulfamoyl)-N'-[(3,4-difluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine
SMILESCCN(CC)S(=O)(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1
InChIInChI=1S/C15H25F2N3O2S/c1-5-19(6-2)23(21,22)20(10-9-18(3)4)12-13-7-8-14(16)15(17)11-13/h7-8,11H,5-6,9-10,12H2,1-4H3
InChIKeyOSMHGKDWNYTZIM-UHFFFAOYSA-N
XLogP1.91
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylpropane-1-sulfonamide
CID 54877329
4-chloro-N-[(3,4-difluorophenyl)methyl]-N-ethylbutane-1-sulfonamide
CID 116815368
N'-[(3-bromo-4-fluorophenyl)methyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine
CID 2846037
2-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylethanamine
CID 82925317
N'-benzyl-N'-(diethylsulfamoyl)ethane-1,2-diamine
CID 61013839
N-[(3,4-difluorophenyl)methyl]-N-propylpropan-1-amine
CID 78821646
1-N-[(3,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine
CID 81490653
4-cyano-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 24679084
2-[(3-chloro-4-fluorophenyl)methyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425991
2,6-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 24679077
ethyl 3-[(3,4-difluorophenyl)methyl-methylamino]propanoate
CID 113221274
2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethylpropanamide
CID 54872566

Frequently Asked Questions

What is the IUPAC name of N'-(diethylsulfamoyl)-N'-[(3,4-difluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-(diethylsulfamoyl)-N'-[(3,4-difluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine (CID 86861119) is N'-(diethylsulfamoyl)-N'-[(3,4-difluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(diethylsulfamoyl)-N'-[(3,4-difluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(diethylsulfamoyl)-N'-[(3,4-difluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine is CCN(CC)S(=O)(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1.
What is the InChIKey of N'-(diethylsulfamoyl)-N'-[(3,4-difluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine?
The InChIKey is OSMHGKDWNYTZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F2N3O2S/c1-5-19(6-2)23(21,22)20(10-9-18(3)4)12-13-7-8-14(16)15(17)11-13/h7-8,11H,5-6,9-10,12H2,1-4H3.
What are the key properties of N'-(diethylsulfamoyl)-N'-[(3,4-difluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine?
N'-(diethylsulfamoyl)-N'-[(3,4-difluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine has a molecular weight of 349.45 g/mol, XLogP of 1.91, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(diethylsulfamoyl)-N'-[(3,4-difluorophenyl)methyl]-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 86861119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).