(E)-2-(4-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethenesulfonamide

C16H13ClF3NO2S — CID 32940502

IUPAC(E)-2-(4-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccc(Cl)cc1)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H13ClF3NO2S/c17-15-6-4-12(5-7-15)8-9-24(22,23)21-11-13-2-1-3-14(10-13)16(18,19)20/h1-10,21H,11H2/b9-8+
InChIKeyAERVYXGRDDCCPT-CMDGGOBGSA-N
MW375.80 g/mol
LogP4.45
Rot. Bonds5

About (E)-2-(4-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethenesulfonamide

(E)-2-(4-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethenesulfonamide (PubChem CID 32940502) has the molecular formula C16H13ClF3NO2S and a molecular weight of 375.80 g/mol. Its IUPAC name is (E)-2-(4-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(4-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethenesulfonamide
PubChem CID32940502
Molecular FormulaC16H13ClF3NO2S
Molecular Weight375.80 g/mol
Exact Mass375.03
IUPAC Name(E)-2-(4-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccc(Cl)cc1)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H13ClF3NO2S/c17-15-6-4-12(5-7-15)8-9-24(22,23)21-11-13-2-1-3-14(10-13)16(18,19)20/h1-10,21H,11H2/b9-8+
InChIKeyAERVYXGRDDCCPT-CMDGGOBGSA-N
XLogP4.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.80
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-2-(4-chlorophenyl)-N-[2-(3-chlorophenyl)ethyl]ethenesulfonamide
CID 9301836
[4-[[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]methyl]phenyl]methyl-dimethylazanium
CID 9191409
3-[[2-(4-methylphenyl)ethenylsulfonylamino]methyl]benzenesulfonamide
CID 55906600
5-chloro-2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3794261
1-[(4-chlorophenyl)sulfonylmethyl]-3-(trifluoromethyl)benzene
CID 2803725
1,1-bis(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol;hydrochloride
CID 138111629
2-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide
CID 43455863
2-(4-chlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethenesulfonamide
CID 91942582
(E)-2-(4-chlorophenyl)-N-[(1-phenylpyrazol-4-yl)methyl]ethenesulfonamide
CID 31841750
8-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]naphthalene-1-sulfonamide
CID 3868587
2-(4-chlorophenyl)-N-[2-(propan-2-ylamino)ethyl]ethenesulfonamide
CID 76948208
2-(4-chlorophenyl)-N-(2H-tetrazol-5-ylmethyl)ethenesulfonamide
CID 76924210

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethenesulfonamide?
The IUPAC name of (E)-2-(4-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethenesulfonamide (CID 32940502) is (E)-2-(4-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethenesulfonamide.
What is the SMILES notation for (E)-2-(4-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethenesulfonamide?
The canonical SMILES for (E)-2-(4-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethenesulfonamide is O=S(=O)(/C=C/c1ccc(Cl)cc1)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of (E)-2-(4-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethenesulfonamide?
The InChIKey is AERVYXGRDDCCPT-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H13ClF3NO2S/c17-15-6-4-12(5-7-15)8-9-24(22,23)21-11-13-2-1-3-14(10-13)16(18,19)20/h1-10,21H,11H2/b9-8+.
What are the key properties of (E)-2-(4-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethenesulfonamide?
(E)-2-(4-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethenesulfonamide has a molecular weight of 375.80 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-chlorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethenesulfonamide is sourced from PubChem (CID 32940502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).