N-(cyclohexylmethyl)-2-(trifluoromethylsulfonyl)aniline

C14H18F3NO2S — CID 43427587

IUPACN-(cyclohexylmethyl)-2-(trifluoromethylsulfonyl)aniline
SMILESO=S(=O)(c1ccccc1NCC1CCCCC1)C(F)(F)F
InChIInChI=1S/C14H18F3NO2S/c15-14(16,17)21(19,20)13-9-5-4-8-12(13)18-10-11-6-2-1-3-7-11/h4-5,8-9,11,18H,1-3,6-7,10H2
InChIKeyKWNCVVAWWMZQGX-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.97
Rot. Bonds4

About N-(cyclohexylmethyl)-2-(trifluoromethylsulfonyl)aniline

N-(cyclohexylmethyl)-2-(trifluoromethylsulfonyl)aniline (PubChem CID 43427587) has the molecular formula C14H18F3NO2S and a molecular weight of 321.36 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(trifluoromethylsulfonyl)aniline.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(trifluoromethylsulfonyl)aniline
PubChem CID43427587
Molecular FormulaC14H18F3NO2S
Molecular Weight321.36 g/mol
Exact Mass321.10
IUPAC NameN-(cyclohexylmethyl)-2-(trifluoromethylsulfonyl)aniline
SMILESO=S(=O)(c1ccccc1NCC1CCCCC1)C(F)(F)F
InChIInChI=1S/C14H18F3NO2S/c15-14(16,17)21(19,20)13-9-5-4-8-12(13)18-10-11-6-2-1-3-7-11/h4-5,8-9,11,18H,1-3,6-7,10H2
InChIKeyKWNCVVAWWMZQGX-UHFFFAOYSA-N
XLogP3.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclobutylmethyl)-2-(trifluoromethylsulfonyl)aniline
CID 43427667
N-(thian-4-ylmethyl)-2-(trifluoromethylsulfonyl)aniline
CID 115625279
N-(cyclobutylmethyl)-2-propylsulfonylaniline
CID 43383343
N-[2-(trifluoromethylsulfonyl)phenyl]oxan-3-amine
CID 63364024
(2S)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol
CID 93044584
1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol
CID 43427898
N-(2-chloropropyl)-2-(trifluoromethylsulfonyl)aniline
CID 65027421
2-[(4-hydroxycyclohexyl)methylamino]benzenesulfonamide
CID 106130341
2-amino-3-(cyclopentylmethylamino)benzenesulfonamide
CID 112674678
methyl 2-(cyclohexylmethylamino)benzoate
CID 43087805
4-[[2-(difluoromethylsulfonyl)anilino]methyl]cyclohexan-1-ol
CID 106129965
tert-butyl N-[2-(cycloheptylmethylamino)phenyl]carbamate
CID 107240333

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(trifluoromethylsulfonyl)aniline?
The IUPAC name of N-(cyclohexylmethyl)-2-(trifluoromethylsulfonyl)aniline (CID 43427587) is N-(cyclohexylmethyl)-2-(trifluoromethylsulfonyl)aniline.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(trifluoromethylsulfonyl)aniline?
The canonical SMILES for N-(cyclohexylmethyl)-2-(trifluoromethylsulfonyl)aniline is O=S(=O)(c1ccccc1NCC1CCCCC1)C(F)(F)F.
What is the InChIKey of N-(cyclohexylmethyl)-2-(trifluoromethylsulfonyl)aniline?
The InChIKey is KWNCVVAWWMZQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2S/c15-14(16,17)21(19,20)13-9-5-4-8-12(13)18-10-11-6-2-1-3-7-11/h4-5,8-9,11,18H,1-3,6-7,10H2.
What are the key properties of N-(cyclohexylmethyl)-2-(trifluoromethylsulfonyl)aniline?
N-(cyclohexylmethyl)-2-(trifluoromethylsulfonyl)aniline has a molecular weight of 321.36 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(trifluoromethylsulfonyl)aniline is sourced from PubChem (CID 43427587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).