4-(difluoromethylsulfonyl)-N-(4-methylcyclohexyl)aniline

C14H19F2NO2S — CID 43455320

IUPAC4-(difluoromethylsulfonyl)-N-(4-methylcyclohexyl)aniline
SMILESCC1CCC(Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1
InChIInChI=1S/C14H19F2NO2S/c1-10-2-4-11(5-3-10)17-12-6-8-13(9-7-12)20(18,19)14(15)16/h6-11,14,17H,2-5H2,1H3
InChIKeyBVOHWCNUZKYSIA-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.67
Rot. Bonds4

About 4-(difluoromethylsulfonyl)-N-(4-methylcyclohexyl)aniline

4-(difluoromethylsulfonyl)-N-(4-methylcyclohexyl)aniline (PubChem CID 43455320) has the molecular formula C14H19F2NO2S and a molecular weight of 303.37 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-(4-methylcyclohexyl)aniline.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-(4-methylcyclohexyl)aniline
PubChem CID43455320
Molecular FormulaC14H19F2NO2S
Molecular Weight303.37 g/mol
Exact Mass303.11
IUPAC Name4-(difluoromethylsulfonyl)-N-(4-methylcyclohexyl)aniline
SMILESCC1CCC(Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1
InChIInChI=1S/C14H19F2NO2S/c1-10-2-4-11(5-3-10)17-12-6-8-13(9-7-12)20(18,19)14(15)16/h6-11,14,17H,2-5H2,1H3
InChIKeyBVOHWCNUZKYSIA-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-(4-methylcyclohexyl)aniline?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-(4-methylcyclohexyl)aniline (CID 43455320) is 4-(difluoromethylsulfonyl)-N-(4-methylcyclohexyl)aniline.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-(4-methylcyclohexyl)aniline?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-(4-methylcyclohexyl)aniline is CC1CCC(Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-(4-methylcyclohexyl)aniline?
The InChIKey is BVOHWCNUZKYSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2S/c1-10-2-4-11(5-3-10)17-12-6-8-13(9-7-12)20(18,19)14(15)16/h6-11,14,17H,2-5H2,1H3.
What are the key properties of 4-(difluoromethylsulfonyl)-N-(4-methylcyclohexyl)aniline?
4-(difluoromethylsulfonyl)-N-(4-methylcyclohexyl)aniline has a molecular weight of 303.37 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-(4-methylcyclohexyl)aniline is sourced from PubChem (CID 43455320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).