N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenoxyethanesulfonamide

C15H13ClF3NO3S — CID 90518166

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenoxyethanesulfonamide
SMILESO=S(=O)(CCOc1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H13ClF3NO3S/c16-13-7-6-11(15(17,18)19)10-14(13)20-24(21,22)9-8-23-12-4-2-1-3-5-12/h1-7,10,20H,8-9H2
InChIKeyUBJLUCLGQQISAP-UHFFFAOYSA-N
MW379.79 g/mol
LogP4.18
Rot. Bonds6

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenoxyethanesulfonamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenoxyethanesulfonamide (PubChem CID 90518166) has the molecular formula C15H13ClF3NO3S and a molecular weight of 379.79 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenoxyethanesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenoxyethanesulfonamide
PubChem CID90518166
Molecular FormulaC15H13ClF3NO3S
Molecular Weight379.79 g/mol
Exact Mass379.03
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenoxyethanesulfonamide
SMILESO=S(=O)(CCOc1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H13ClF3NO3S/c16-13-7-6-11(15(17,18)19)10-14(13)20-24(21,22)9-8-23-12-4-2-1-3-5-12/h1-7,10,20H,8-9H2
InChIKeyUBJLUCLGQQISAP-UHFFFAOYSA-N
XLogP4.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.79
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 113220712
1-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonamide
CID 18891357
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 3-phenoxypropanoate
CID 7841537
2-chloro-N-(2-phenoxyethyl)-4-(trifluoromethyl)aniline
CID 63668109
2-phenoxy-N-(2-phenoxyphenyl)ethanesulfonamide
CID 90518283
2-(4-fluorophenoxy)-N-[4-(trifluoromethyl)phenyl]ethanesulfonamide
CID 90518572
N-(3,5-dimethoxyphenyl)-2-phenoxyethanesulfonamide
CID 90518196
[(2R)-1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 2-phenoxyacetate
CID 7696603
3-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]propane-1-sulfonamide
CID 66476430
2-(4-fluorophenoxy)-N-[2-(trifluoromethoxy)phenyl]ethanesulfonamide
CID 90518656
N-(4-anilinophenyl)-2-phenoxyethanesulfonamide
CID 90518272
N-[2-bromo-5-(trifluoromethyl)phenyl]-2-chloroethanesulfonamide
CID 114043489

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenoxyethanesulfonamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenoxyethanesulfonamide (CID 90518166) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenoxyethanesulfonamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenoxyethanesulfonamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenoxyethanesulfonamide is O=S(=O)(CCOc1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenoxyethanesulfonamide?
The InChIKey is UBJLUCLGQQISAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO3S/c16-13-7-6-11(15(17,18)19)10-14(13)20-24(21,22)9-8-23-12-4-2-1-3-5-12/h1-7,10,20H,8-9H2.
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenoxyethanesulfonamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenoxyethanesulfonamide has a molecular weight of 379.79 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenoxyethanesulfonamide is sourced from PubChem (CID 90518166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).