2-(difluoromethylsulfonyl)-N-(2,3-dimethylcyclopentyl)aniline

C14H19F2NO2S — CID 64922621

IUPAC2-(difluoromethylsulfonyl)-N-(2,3-dimethylcyclopentyl)aniline
SMILESCC1CCC(Nc2ccccc2S(=O)(=O)C(F)F)C1C
InChIInChI=1S/C14H19F2NO2S/c1-9-7-8-11(10(9)2)17-12-5-3-4-6-13(12)20(18,19)14(15)16/h3-6,9-11,14,17H,7-8H2,1-2H3
InChIKeyKEAZHEIFEMGBAQ-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.53
Rot. Bonds4

About 2-(difluoromethylsulfonyl)-N-(2,3-dimethylcyclopentyl)aniline

2-(difluoromethylsulfonyl)-N-(2,3-dimethylcyclopentyl)aniline (PubChem CID 64922621) has the molecular formula C14H19F2NO2S and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-(difluoromethylsulfonyl)-N-(2,3-dimethylcyclopentyl)aniline.

Molecular Properties

Compound Name2-(difluoromethylsulfonyl)-N-(2,3-dimethylcyclopentyl)aniline
PubChem CID64922621
Molecular FormulaC14H19F2NO2S
Molecular Weight303.37 g/mol
Exact Mass303.11
IUPAC Name2-(difluoromethylsulfonyl)-N-(2,3-dimethylcyclopentyl)aniline
SMILESCC1CCC(Nc2ccccc2S(=O)(=O)C(F)F)C1C
InChIInChI=1S/C14H19F2NO2S/c1-9-7-8-11(10(9)2)17-12-5-3-4-6-13(12)20(18,19)14(15)16/h3-6,9-11,14,17H,7-8H2,1-2H3
InChIKeyKEAZHEIFEMGBAQ-UHFFFAOYSA-N
XLogP3.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylcyclopentyl)-2-(trifluoromethylsulfonyl)aniline
CID 64921633
1-N-(2,3-dimethylcyclopentyl)-3-fluorobenzene-1,2-diamine
CID 64907121
N-(2,3-dimethylcyclopentyl)-2-hydrazinylbenzenesulfonamide
CID 64922831
1-[4-[2-(difluoromethylsulfonyl)anilino]piperidin-1-yl]-2-methylpropan-1-one
CID 133282595
N-(2,4-dimethylcyclohexyl)-2-methylsulfonylaniline
CID 63996716
2-[(3-ethyl-2-methylcyclopentyl)amino]-N-methylbenzenesulfonamide
CID 64921417
4-[2-(difluoromethylsulfonyl)anilino]cyclopent-2-ene-1-carboxylic acid
CID 79192554
2-[(2,3-dimethylcyclopentyl)amino]-6-fluorobenzoic acid
CID 79511448
4-[[2-(difluoromethylsulfonyl)anilino]methyl]cyclohexan-1-ol
CID 106129965
N-(2,3-dimethylcyclohexyl)-2-(trifluoromethyl)aniline
CID 63536597
N-[2-(difluoromethylsulfonyl)phenyl]-2,2-dimethylpropanamide
CID 60630209
2-(difluoromethylsulfonyl)-N-(2-methylsulfonylethyl)aniline
CID 54934651

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonyl)-N-(2,3-dimethylcyclopentyl)aniline?
The IUPAC name of 2-(difluoromethylsulfonyl)-N-(2,3-dimethylcyclopentyl)aniline (CID 64922621) is 2-(difluoromethylsulfonyl)-N-(2,3-dimethylcyclopentyl)aniline.
What is the SMILES notation for 2-(difluoromethylsulfonyl)-N-(2,3-dimethylcyclopentyl)aniline?
The canonical SMILES for 2-(difluoromethylsulfonyl)-N-(2,3-dimethylcyclopentyl)aniline is CC1CCC(Nc2ccccc2S(=O)(=O)C(F)F)C1C.
What is the InChIKey of 2-(difluoromethylsulfonyl)-N-(2,3-dimethylcyclopentyl)aniline?
The InChIKey is KEAZHEIFEMGBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2S/c1-9-7-8-11(10(9)2)17-12-5-3-4-6-13(12)20(18,19)14(15)16/h3-6,9-11,14,17H,7-8H2,1-2H3.
What are the key properties of 2-(difluoromethylsulfonyl)-N-(2,3-dimethylcyclopentyl)aniline?
2-(difluoromethylsulfonyl)-N-(2,3-dimethylcyclopentyl)aniline has a molecular weight of 303.37 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonyl)-N-(2,3-dimethylcyclopentyl)aniline is sourced from PubChem (CID 64922621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).