1-[(Z)-2-chloro-1-phenylethenyl]sulfonyl-4-(trifluoromethyl)benzene

C15H10ClF3O2S — CID 162535585

IUPAC1-[(Z)-2-chloro-1-phenylethenyl]sulfonyl-4-(trifluoromethyl)benzene
SMILESO=S(=O)(/C(=C\Cl)c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H10ClF3O2S/c16-10-14(11-4-2-1-3-5-11)22(20,21)13-8-6-12(7-9-13)15(17,18)19/h1-10H/b14-10-
InChIKeyQJBIBFAXKPRNTI-UVTDQMKNSA-N
MW346.76 g/mol
LogP4.72
Rot. Bonds3

About 1-[(Z)-2-chloro-1-phenylethenyl]sulfonyl-4-(trifluoromethyl)benzene

1-[(Z)-2-chloro-1-phenylethenyl]sulfonyl-4-(trifluoromethyl)benzene (PubChem CID 162535585) has the molecular formula C15H10ClF3O2S and a molecular weight of 346.76 g/mol. Its IUPAC name is 1-[(Z)-2-chloro-1-phenylethenyl]sulfonyl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[(Z)-2-chloro-1-phenylethenyl]sulfonyl-4-(trifluoromethyl)benzene
PubChem CID162535585
Molecular FormulaC15H10ClF3O2S
Molecular Weight346.76 g/mol
Exact Mass346.00
IUPAC Name1-[(Z)-2-chloro-1-phenylethenyl]sulfonyl-4-(trifluoromethyl)benzene
SMILESO=S(=O)(/C(=C\Cl)c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H10ClF3O2S/c16-10-14(11-4-2-1-3-5-11)22(20,21)13-8-6-12(7-9-13)15(17,18)19/h1-10H/b14-10-
InChIKeyQJBIBFAXKPRNTI-UVTDQMKNSA-N
XLogP4.72
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.76
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-chloro-1-phenylethenyl]sulfonyl-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[(Z)-2-chloro-1-phenylethenyl]sulfonyl-4-(trifluoromethyl)benzene (CID 162535585) is 1-[(Z)-2-chloro-1-phenylethenyl]sulfonyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[(Z)-2-chloro-1-phenylethenyl]sulfonyl-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[(Z)-2-chloro-1-phenylethenyl]sulfonyl-4-(trifluoromethyl)benzene is O=S(=O)(/C(=C\Cl)c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[(Z)-2-chloro-1-phenylethenyl]sulfonyl-4-(trifluoromethyl)benzene?
The InChIKey is QJBIBFAXKPRNTI-UVTDQMKNSA-N. The full InChI is InChI=1S/C15H10ClF3O2S/c16-10-14(11-4-2-1-3-5-11)22(20,21)13-8-6-12(7-9-13)15(17,18)19/h1-10H/b14-10-.
What are the key properties of 1-[(Z)-2-chloro-1-phenylethenyl]sulfonyl-4-(trifluoromethyl)benzene?
1-[(Z)-2-chloro-1-phenylethenyl]sulfonyl-4-(trifluoromethyl)benzene has a molecular weight of 346.76 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-chloro-1-phenylethenyl]sulfonyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 162535585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).