3-chloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide

C15H13ClF3NO2S — CID 30329371

IUPAC3-chloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1
InChIInChI=1S/C15H13ClF3NO2S/c16-13-2-1-3-14(10-13)23(21,22)20-9-8-11-4-6-12(7-5-11)15(17,18)19/h1-7,10,20H,8-9H2
InChIKeyNPJJHNOZGOAEDY-UHFFFAOYSA-N
MW363.79 g/mol
LogP3.88
Rot. Bonds5

About 3-chloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide

3-chloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide (PubChem CID 30329371) has the molecular formula C15H13ClF3NO2S and a molecular weight of 363.79 g/mol. Its IUPAC name is 3-chloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
PubChem CID30329371
Molecular FormulaC15H13ClF3NO2S
Molecular Weight363.79 g/mol
Exact Mass363.03
IUPAC Name3-chloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1
InChIInChI=1S/C15H13ClF3NO2S/c16-13-2-1-3-14(10-13)23(21,22)20-9-8-11-4-6-12(7-5-11)15(17,18)19/h1-7,10,20H,8-9H2
InChIKeyNPJJHNOZGOAEDY-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

3-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 61017413
3-chloro-N-[2-(4-nitrophenyl)ethyl]benzenesulfonamide
CID 110294516
3-[2-[(3-chlorophenyl)sulfonylamino]ethyl]benzoic acid
CID 174539221
3-chloro-N-(3-phenylpropyl)benzenesulfonamide
CID 26948501
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-3-chlorobenzenesulfonamide
CID 16890345
3-bromo-N-[2-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 7514376
3-chloro-N-[2-(2-hydroxyphenyl)ethyl]benzenesulfonamide
CID 110605350
N-(2-pyridin-4-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3758461
3-chloro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 18190650
3-(benzenesulfonyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 11978172
2-[4-[2-[(3-chlorophenyl)sulfonylamino]ethyl]phenyl]-4-hydroxybutanoic acid
CID 70371933
N-[2-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 897615

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide (CID 30329371) is 3-chloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide is O=S(=O)(NCCc1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
The InChIKey is NPJJHNOZGOAEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO2S/c16-13-2-1-3-14(10-13)23(21,22)20-9-8-11-4-6-12(7-5-11)15(17,18)19/h1-7,10,20H,8-9H2.
What are the key properties of 3-chloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide?
3-chloro-N-[2-[4-(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 3-chloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 30329371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).