1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-chlorobenzene

C14H10Cl2O2S — CID 13433971

IUPAC1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-chlorobenzene
SMILESO=S(=O)(/C(Cl)=C/c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H10Cl2O2S/c15-12-8-6-11(7-9-12)10-14(16)19(17,18)13-4-2-1-3-5-13/h1-10H/b14-10+
InChIKeyGBPGZSIQZVWPDU-GXDHUFHOSA-N
MW313.21 g/mol
LogP4.35
Rot. Bonds3

About 1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-chlorobenzene

1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-chlorobenzene (PubChem CID 13433971) has the molecular formula C14H10Cl2O2S and a molecular weight of 313.21 g/mol. Its IUPAC name is 1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-chlorobenzene.

Molecular Properties

Compound Name1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-chlorobenzene
PubChem CID13433971
Molecular FormulaC14H10Cl2O2S
Molecular Weight313.21 g/mol
Exact Mass311.98
IUPAC Name1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-chlorobenzene
SMILESO=S(=O)(/C(Cl)=C/c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H10Cl2O2S/c15-12-8-6-11(7-9-12)10-14(16)19(17,18)13-4-2-1-3-5-13/h1-10H/b14-10+
InChIKeyGBPGZSIQZVWPDU-GXDHUFHOSA-N
XLogP4.35
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-chlorobenzene?
The IUPAC name of 1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-chlorobenzene (CID 13433971) is 1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-chlorobenzene.
What is the SMILES notation for 1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-chlorobenzene?
The canonical SMILES for 1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-chlorobenzene is O=S(=O)(/C(Cl)=C/c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-chlorobenzene?
The InChIKey is GBPGZSIQZVWPDU-GXDHUFHOSA-N. The full InChI is InChI=1S/C14H10Cl2O2S/c15-12-8-6-11(7-9-12)10-14(16)19(17,18)13-4-2-1-3-5-13/h1-10H/b14-10+.
What are the key properties of 1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-chlorobenzene?
1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-chlorobenzene has a molecular weight of 313.21 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-chlorobenzene is sourced from PubChem (CID 13433971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).