2-chloro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide

C15H13ClF3NO2S — CID 3763853

IUPAC2-chloro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1cccc(C(F)(F)F)c1)c1ccccc1Cl
InChIInChI=1S/C15H13ClF3NO2S/c16-13-6-1-2-7-14(13)23(21,22)20-9-8-11-4-3-5-12(10-11)15(17,18)19/h1-7,10,20H,8-9H2
InChIKeyHJHNLYKWVFEAPJ-UHFFFAOYSA-N
MW363.79 g/mol
LogP3.88
Rot. Bonds5

About 2-chloro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide

2-chloro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide (PubChem CID 3763853) has the molecular formula C15H13ClF3NO2S and a molecular weight of 363.79 g/mol. Its IUPAC name is 2-chloro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
PubChem CID3763853
Molecular FormulaC15H13ClF3NO2S
Molecular Weight363.79 g/mol
Exact Mass363.03
IUPAC Name2-chloro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1cccc(C(F)(F)F)c1)c1ccccc1Cl
InChIInChI=1S/C15H13ClF3NO2S/c16-13-6-1-2-7-14(13)23(21,22)20-9-8-11-4-3-5-12(10-11)15(17,18)19/h1-7,10,20H,8-9H2
InChIKeyHJHNLYKWVFEAPJ-UHFFFAOYSA-N
XLogP3.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.79
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 57430119
3-(benzenesulfonyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 11978172
2,3,4-trifluoro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 3813210
N-[2-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide
CID 5156375
8-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]naphthalene-1-sulfonamide
CID 3868587
3-[(2-chlorophenyl)sulfonylamino]-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide
CID 55855014
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(trifluoromethyl)benzenesulfonamide
CID 55353351
2-chloro-4-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 3861915
2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 154576267
2-chloro-5-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 7995386
2,4,5-trichloro-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide
CID 19680921
2-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 139601759

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide (CID 3763853) is 2-chloro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide is O=S(=O)(NCCc1cccc(C(F)(F)F)c1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
The InChIKey is HJHNLYKWVFEAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO2S/c16-13-6-1-2-7-14(13)23(21,22)20-9-8-11-4-3-5-12(10-11)15(17,18)19/h1-7,10,20H,8-9H2.
What are the key properties of 2-chloro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
2-chloro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide has a molecular weight of 363.79 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 3763853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).