1-chloro-3-ethenylsulfonylbenzene

C8H7ClO2S — CID 62950197

IUPAC1-chloro-3-ethenylsulfonylbenzene
SMILESC=CS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C8H7ClO2S/c1-2-12(10,11)8-5-3-4-7(9)6-8/h2-6H,1H2
InChIKeyQUVSVBCIOKWSTE-UHFFFAOYSA-N
MW202.66 g/mol
LogP2.26
Rot. Bonds2

About 1-chloro-3-ethenylsulfonylbenzene

1-chloro-3-ethenylsulfonylbenzene (PubChem CID 62950197) has the molecular formula C8H7ClO2S and a molecular weight of 202.66 g/mol. Its IUPAC name is 1-chloro-3-ethenylsulfonylbenzene.

Molecular Properties

Compound Name1-chloro-3-ethenylsulfonylbenzene
PubChem CID62950197
Molecular FormulaC8H7ClO2S
Molecular Weight202.66 g/mol
Exact Mass201.99
IUPAC Name1-chloro-3-ethenylsulfonylbenzene
SMILESC=CS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C8H7ClO2S/c1-2-12(10,11)8-5-3-4-7(9)6-8/h2-6H,1H2
InChIKeyQUVSVBCIOKWSTE-UHFFFAOYSA-N
XLogP2.26
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.66
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethenyl-3-ethenylsulfonylbenzene
CID 21019423
1-ethenylsulfonyl-3-(4-ethenylsulfonylphenyl)benzene
CID 57241230
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3-chlorobenzenesulfonohydrazide
CID 12924057
3-chloro-2-[(Z)-2-(3-chlorophenyl)sulfonylethenyl]pyridine
CID 162649934
3-chloro-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 142417239
1-chloro-3-(1-chloroethylsulfonyl)benzene
CID 173357719
CID 87092838
CID 87092838

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-ethenylsulfonylbenzene?
The IUPAC name of 1-chloro-3-ethenylsulfonylbenzene (CID 62950197) is 1-chloro-3-ethenylsulfonylbenzene.
What is the SMILES notation for 1-chloro-3-ethenylsulfonylbenzene?
The canonical SMILES for 1-chloro-3-ethenylsulfonylbenzene is C=CS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 1-chloro-3-ethenylsulfonylbenzene?
The InChIKey is QUVSVBCIOKWSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO2S/c1-2-12(10,11)8-5-3-4-7(9)6-8/h2-6H,1H2.
What are the key properties of 1-chloro-3-ethenylsulfonylbenzene?
1-chloro-3-ethenylsulfonylbenzene has a molecular weight of 202.66 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-ethenylsulfonylbenzene is sourced from PubChem (CID 62950197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).