N'-[4-(difluoromethylsulfonyl)phenyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine

C14H22F2N2O2S — CID 62585680

IUPACN'-[4-(difluoromethylsulfonyl)phenyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine
SMILESCCN(CCNC(C)C)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C14H22F2N2O2S/c1-4-18(10-9-17-11(2)3)12-5-7-13(8-6-12)21(19,20)14(15)16/h5-8,11,14,17H,4,9-10H2,1-3H3
InChIKeyWKHOUSIFRKPSBR-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.51
Rot. Bonds8

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

N'-[4-(difluoromethylsulfonyl)phenyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine (PubChem CID 62585680) has the molecular formula C14H22F2N2O2S and a molecular weight of 320.41 g/mol. Its IUPAC name is N'-[4-(difluoromethylsulfonyl)phenyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-(difluoromethylsulfonyl)phenyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine
PubChem CID62585680
Molecular FormulaC14H22F2N2O2S
Molecular Weight320.41 g/mol
Exact Mass320.14
IUPAC NameN'-[4-(difluoromethylsulfonyl)phenyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine
SMILESCCN(CCNC(C)C)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C14H22F2N2O2S/c1-4-18(10-9-17-11(2)3)12-5-7-13(8-6-12)21(19,20)14(15)16/h5-8,11,14,17H,4,9-10H2,1-3H3
InChIKeyWKHOUSIFRKPSBR-UHFFFAOYSA-N
XLogP2.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-ethyl-N'-(4-methylsulfonylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 62585681
N'-ethyl-N'-(3-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 20811771
4-(difluoromethylsulfonyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)aniline
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N'-[4-(difluoromethylsulfonyl)phenyl]-N'-propan-2-ylpropane-1,3-diamine
CID 60870242
4-(difluoromethylsulfonyl)-N-propan-2-ylaniline
CID 43455286
4-(difluoromethylsulfonyl)-N-(2-methylbutyl)aniline
CID 43683861
4-(difluoromethylsulfonyl)-N-(2-propan-2-yloxyethyl)aniline
CID 104576936
4-[3-[4-(difluoromethylsulfonyl)anilino]propyl]-N,N-dimethylaniline
CID 55827331
4-(difluoromethylsulfonyl)-N-(3,3-dimethylbutyl)aniline
CID 60966150
N-[3-(N-ethylanilino)propyl]-2-(4-fluorophenyl)sulfonylpropanamide
CID 55813419

Frequently Asked Questions

What is the IUPAC name of N'-[4-(difluoromethylsulfonyl)phenyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-[4-(difluoromethylsulfonyl)phenyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine (CID 62585680) is N'-[4-(difluoromethylsulfonyl)phenyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-[4-(difluoromethylsulfonyl)phenyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-[4-(difluoromethylsulfonyl)phenyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine is CCN(CCNC(C)C)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of N'-[4-(difluoromethylsulfonyl)phenyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine?
The InChIKey is WKHOUSIFRKPSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2O2S/c1-4-18(10-9-17-11(2)3)12-5-7-13(8-6-12)21(19,20)14(15)16/h5-8,11,14,17H,4,9-10H2,1-3H3.
What are the key properties of N'-[4-(difluoromethylsulfonyl)phenyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine?
N'-[4-(difluoromethylsulfonyl)phenyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine has a molecular weight of 320.41 g/mol, XLogP of 2.51, 8 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'-ethyl-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 62585680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).