N'-[4-(difluoromethylsulfonyl)phenyl]-N'-propan-2-ylpropane-1,3-diamine

C13H20F2N2O2S — CID 60870242

IUPACN'-[4-(difluoromethylsulfonyl)phenyl]-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)N(CCCN)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C13H20F2N2O2S/c1-10(2)17(9-3-8-16)11-4-6-12(7-5-11)20(18,19)13(14)15/h4-7,10,13H,3,8-9,16H2,1-2H3
InChIKeyZIEZILABYHTOIW-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.25
Rot. Bonds7

About N'-[4-(difluoromethylsulfonyl)phenyl]-N'-propan-2-ylpropane-1,3-diamine

N'-[4-(difluoromethylsulfonyl)phenyl]-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 60870242) has the molecular formula C13H20F2N2O2S and a molecular weight of 306.38 g/mol. Its IUPAC name is N'-[4-(difluoromethylsulfonyl)phenyl]-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[4-(difluoromethylsulfonyl)phenyl]-N'-propan-2-ylpropane-1,3-diamine
PubChem CID60870242
Molecular FormulaC13H20F2N2O2S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC NameN'-[4-(difluoromethylsulfonyl)phenyl]-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)N(CCCN)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C13H20F2N2O2S/c1-10(2)17(9-3-8-16)11-4-6-12(7-5-11)20(18,19)13(14)15/h4-7,10,13H,3,8-9,16H2,1-2H3
InChIKeyZIEZILABYHTOIW-UHFFFAOYSA-N
XLogP2.25
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-[4-(difluoromethylsulfonyl)phenyl]-N'-propan-2-ylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(difluoromethylsulfonyl)-N-propan-2-ylanilino]ethanol
CID 61146204
N'-cyclopropyl-N'-[4-(difluoromethylsulfonyl)phenyl]ethane-1,2-diamine
CID 55241222
2-[4-(difluoromethylsulfonyl)-N-methylanilino]ethanol
CID 61146533
3-(4-methylsulfonyl-N-propan-2-ylanilino)propan-1-ol
CID 61145734
4-(difluoromethylsulfonyl)-N-methyl-N-(3-propylsilylpropyl)aniline
CID 159311324
3-(4-ethylsulfonyl-N-propan-2-ylanilino)propan-1-ol
CID 61146549
N-butyl-N-[[4-(difluoromethylsulfonyl)phenyl]methyl]butan-1-amine
CID 112814799
N'-[4-(difluoromethylsulfonyl)phenyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine
CID 62585680
N-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 112820223
N'-butan-2-yl-N'-(4-methylphenyl)propane-1,3-diamine
CID 43136067
2-[4-(difluoromethylsulfonyl)phenoxy]ethanamine
CID 62349233
N-(3-aminopropyl)-N-(4-fluorophenyl)propane-2-sulfonamide
CID 60859587

Frequently Asked Questions

What is the IUPAC name of N'-[4-(difluoromethylsulfonyl)phenyl]-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-[4-(difluoromethylsulfonyl)phenyl]-N'-propan-2-ylpropane-1,3-diamine (CID 60870242) is N'-[4-(difluoromethylsulfonyl)phenyl]-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-[4-(difluoromethylsulfonyl)phenyl]-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-[4-(difluoromethylsulfonyl)phenyl]-N'-propan-2-ylpropane-1,3-diamine is CC(C)N(CCCN)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of N'-[4-(difluoromethylsulfonyl)phenyl]-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is ZIEZILABYHTOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O2S/c1-10(2)17(9-3-8-16)11-4-6-12(7-5-11)20(18,19)13(14)15/h4-7,10,13H,3,8-9,16H2,1-2H3.
What are the key properties of N'-[4-(difluoromethylsulfonyl)phenyl]-N'-propan-2-ylpropane-1,3-diamine?
N'-[4-(difluoromethylsulfonyl)phenyl]-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 306.38 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(difluoromethylsulfonyl)phenyl]-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 60870242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).