4-chloro-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)aniline

C10H11ClF3NO2S — CID 60721760

IUPAC4-chloro-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)aniline
SMILESCS(=O)(=O)CCNc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H11ClF3NO2S/c1-18(16,17)5-4-15-7-2-3-9(11)8(6-7)10(12,13)14/h2-3,6,15H,4-5H2,1H3
InChIKeyHQZLZHOUUKBXMP-UHFFFAOYSA-N
MW301.72 g/mol
LogP2.82
Rot. Bonds4

About 4-chloro-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)aniline

4-chloro-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)aniline (PubChem CID 60721760) has the molecular formula C10H11ClF3NO2S and a molecular weight of 301.72 g/mol. Its IUPAC name is 4-chloro-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-chloro-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)aniline
PubChem CID60721760
Molecular FormulaC10H11ClF3NO2S
Molecular Weight301.72 g/mol
Exact Mass301.02
IUPAC Name4-chloro-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)aniline
SMILESCS(=O)(=O)CCNc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H11ClF3NO2S/c1-18(16,17)5-4-15-7-2-3-9(11)8(6-7)10(12,13)14/h2-3,6,15H,4-5H2,1H3
InChIKeyHQZLZHOUUKBXMP-UHFFFAOYSA-N
XLogP2.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.72
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)aniline
CID 61230337
4-chloro-N-(4-methylpentyl)-3-(trifluoromethyl)aniline
CID 83155392
N-[4-chloro-3-(trifluoromethyl)phenyl]butane-1-sulfonamide
CID 22201682
4-[4-chloro-3-(trifluoromethyl)anilino]-N-methylbutanamide
CID 63892047
3-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methylpropyl)propanamide
CID 109012712
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylsulfonylbenzenesulfonamide
CID 25469886
4-chloro-N-[(2-ethylphenyl)methyl]-3-(trifluoromethyl)aniline
CID 63423431
3-[4-chloro-3-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide
CID 62623936
N-(2-tert-butylsulfonylethyl)-3,4-dichloroaniline
CID 106723040
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
CID 142867328
N-(3-methylsulfonylpropyl)-4-nitro-3-(trifluoromethyl)aniline
CID 61038223
4-chloro-N-[(E)-3-chloroprop-2-enyl]-3-(trifluoromethyl)aniline
CID 107899669

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)aniline?
The IUPAC name of 4-chloro-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)aniline (CID 60721760) is 4-chloro-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-chloro-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-chloro-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)aniline is CS(=O)(=O)CCNc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)aniline?
The InChIKey is HQZLZHOUUKBXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO2S/c1-18(16,17)5-4-15-7-2-3-9(11)8(6-7)10(12,13)14/h2-3,6,15H,4-5H2,1H3.
What are the key properties of 4-chloro-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)aniline?
4-chloro-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)aniline has a molecular weight of 301.72 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methylsulfonylethyl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 60721760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).