4-(difluoromethylsulfonyl)-N-[(1-methylcyclopentyl)methyl]aniline

C14H19F2NO2S — CID 63821978

IUPAC4-(difluoromethylsulfonyl)-N-[(1-methylcyclopentyl)methyl]aniline
SMILESCC1(CNc2ccc(S(=O)(=O)C(F)F)cc2)CCCC1
InChIInChI=1S/C14H19F2NO2S/c1-14(8-2-3-9-14)10-17-11-4-6-12(7-5-11)20(18,19)13(15)16/h4-7,13,17H,2-3,8-10H2,1H3
InChIKeyKUGMWJSXSFUQJQ-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.68
Rot. Bonds5

About 4-(difluoromethylsulfonyl)-N-[(1-methylcyclopentyl)methyl]aniline

4-(difluoromethylsulfonyl)-N-[(1-methylcyclopentyl)methyl]aniline (PubChem CID 63821978) has the molecular formula C14H19F2NO2S and a molecular weight of 303.37 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-[(1-methylcyclopentyl)methyl]aniline.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-[(1-methylcyclopentyl)methyl]aniline
PubChem CID63821978
Molecular FormulaC14H19F2NO2S
Molecular Weight303.37 g/mol
Exact Mass303.11
IUPAC Name4-(difluoromethylsulfonyl)-N-[(1-methylcyclopentyl)methyl]aniline
SMILESCC1(CNc2ccc(S(=O)(=O)C(F)F)cc2)CCCC1
InChIInChI=1S/C14H19F2NO2S/c1-14(8-2-3-9-14)10-17-11-4-6-12(7-5-11)20(18,19)13(15)16/h4-7,13,17H,2-3,8-10H2,1H3
InChIKeyKUGMWJSXSFUQJQ-UHFFFAOYSA-N
XLogP3.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-[(1-methylcyclopentyl)methyl]aniline?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-[(1-methylcyclopentyl)methyl]aniline (CID 63821978) is 4-(difluoromethylsulfonyl)-N-[(1-methylcyclopentyl)methyl]aniline.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-[(1-methylcyclopentyl)methyl]aniline?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-[(1-methylcyclopentyl)methyl]aniline is CC1(CNc2ccc(S(=O)(=O)C(F)F)cc2)CCCC1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-[(1-methylcyclopentyl)methyl]aniline?
The InChIKey is KUGMWJSXSFUQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2S/c1-14(8-2-3-9-14)10-17-11-4-6-12(7-5-11)20(18,19)13(15)16/h4-7,13,17H,2-3,8-10H2,1H3.
What are the key properties of 4-(difluoromethylsulfonyl)-N-[(1-methylcyclopentyl)methyl]aniline?
4-(difluoromethylsulfonyl)-N-[(1-methylcyclopentyl)methyl]aniline has a molecular weight of 303.37 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-[(1-methylcyclopentyl)methyl]aniline is sourced from PubChem (CID 63821978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).