2-(difluoromethylsulfonyl)-N-(2-pyridin-4-ylethyl)aniline

C14H14F2N2O2S — CID 60904511

IUPAC2-(difluoromethylsulfonyl)-N-(2-pyridin-4-ylethyl)aniline
SMILESO=S(=O)(c1ccccc1NCCc1ccncc1)C(F)F
InChIInChI=1S/C14H14F2N2O2S/c15-14(16)21(19,20)13-4-2-1-3-12(13)18-10-7-11-5-8-17-9-6-11/h1-6,8-9,14,18H,7,10H2
InChIKeyJEDHVTUIURGKQJ-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.73
Rot. Bonds6

About 2-(difluoromethylsulfonyl)-N-(2-pyridin-4-ylethyl)aniline

2-(difluoromethylsulfonyl)-N-(2-pyridin-4-ylethyl)aniline (PubChem CID 60904511) has the molecular formula C14H14F2N2O2S and a molecular weight of 312.34 g/mol. Its IUPAC name is 2-(difluoromethylsulfonyl)-N-(2-pyridin-4-ylethyl)aniline.

Molecular Properties

Compound Name2-(difluoromethylsulfonyl)-N-(2-pyridin-4-ylethyl)aniline
PubChem CID60904511
Molecular FormulaC14H14F2N2O2S
Molecular Weight312.34 g/mol
Exact Mass312.07
IUPAC Name2-(difluoromethylsulfonyl)-N-(2-pyridin-4-ylethyl)aniline
SMILESO=S(=O)(c1ccccc1NCCc1ccncc1)C(F)F
InChIInChI=1S/C14H14F2N2O2S/c15-14(16)21(19,20)13-4-2-1-3-12(13)18-10-7-11-5-8-17-9-6-11/h1-6,8-9,14,18H,7,10H2
InChIKeyJEDHVTUIURGKQJ-UHFFFAOYSA-N
XLogP2.73
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-(2-pyridin-4-ylethylamino)benzenesulfonamide
CID 60904200
N'-[2-(difluoromethylsulfonyl)phenyl]hexane-1,6-diamine
CID 107844931
3-[2-(difluoromethylsulfonyl)anilino]propan-1-ol
CID 43455403
2-(difluoromethylsulfonyl)-N-(2-methylsulfonylethyl)aniline
CID 54934651
2-(difluoromethylsulfonyl)-N-(3-imidazol-1-ylpropyl)aniline
CID 43455408
N-(3-chloropentyl)-2-(difluoromethylsulfonyl)aniline
CID 113497856
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(difluoromethylsulfonyl)aniline
CID 103656020
2-methylsulfanyl-N-(2-pyridin-4-ylethyl)aniline
CID 107644727
2-(ethylamino)-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 62147752
2-chloro-N-(2-pyridin-4-ylethyl)aniline
CID 45156427
N-[2-(difluoromethylsulfonyl)phenyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62641444
2-[2-(difluoromethylsulfonyl)anilino]-N-ethylethanesulfonamide
CID 106337997

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonyl)-N-(2-pyridin-4-ylethyl)aniline?
The IUPAC name of 2-(difluoromethylsulfonyl)-N-(2-pyridin-4-ylethyl)aniline (CID 60904511) is 2-(difluoromethylsulfonyl)-N-(2-pyridin-4-ylethyl)aniline.
What is the SMILES notation for 2-(difluoromethylsulfonyl)-N-(2-pyridin-4-ylethyl)aniline?
The canonical SMILES for 2-(difluoromethylsulfonyl)-N-(2-pyridin-4-ylethyl)aniline is O=S(=O)(c1ccccc1NCCc1ccncc1)C(F)F.
What is the InChIKey of 2-(difluoromethylsulfonyl)-N-(2-pyridin-4-ylethyl)aniline?
The InChIKey is JEDHVTUIURGKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2S/c15-14(16)21(19,20)13-4-2-1-3-12(13)18-10-7-11-5-8-17-9-6-11/h1-6,8-9,14,18H,7,10H2.
What are the key properties of 2-(difluoromethylsulfonyl)-N-(2-pyridin-4-ylethyl)aniline?
2-(difluoromethylsulfonyl)-N-(2-pyridin-4-ylethyl)aniline has a molecular weight of 312.34 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonyl)-N-(2-pyridin-4-ylethyl)aniline is sourced from PubChem (CID 60904511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).