chlorobenzene;1-phenyl-2-prop-2-enylsulfonylbenzene

C21H19ClO2S — CID 174599165

IUPACchlorobenzene;1-phenyl-2-prop-2-enylsulfonylbenzene
SMILESC=CCS(=O)(=O)c1ccccc1-c1ccccc1.Clc1ccccc1
InChIInChI=1S/C15H14O2S.C6H5Cl/c1-2-12-18(16,17)15-11-7-6-10-14(15)13-8-4-3-5-9-13;7-6-4-2-1-3-5-6/h2-11H,1,12H2;1-5H
InChIKeyQWZBVTSJISSZKW-UHFFFAOYSA-N
MW370.90 g/mol
LogP5.65
Rot. Bonds4

About chlorobenzene;1-phenyl-2-prop-2-enylsulfonylbenzene

chlorobenzene;1-phenyl-2-prop-2-enylsulfonylbenzene (PubChem CID 174599165) has the molecular formula C21H19ClO2S and a molecular weight of 370.90 g/mol. Its IUPAC name is chlorobenzene;1-phenyl-2-prop-2-enylsulfonylbenzene.

Molecular Properties

Compound Namechlorobenzene;1-phenyl-2-prop-2-enylsulfonylbenzene
PubChem CID174599165
Molecular FormulaC21H19ClO2S
Molecular Weight370.90 g/mol
Exact Mass370.08
IUPAC Namechlorobenzene;1-phenyl-2-prop-2-enylsulfonylbenzene
SMILESC=CCS(=O)(=O)c1ccccc1-c1ccccc1.Clc1ccccc1
InChIInChI=1S/C15H14O2S.C6H5Cl/c1-2-12-18(16,17)15-11-7-6-10-14(15)13-8-4-3-5-9-13;7-6-4-2-1-3-5-6/h2-11H,1,12H2;1-5H
InChIKeyQWZBVTSJISSZKW-UHFFFAOYSA-N
XLogP5.65
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.90
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-2-prop-2-enylsulfonylbenzene
CID 68657495
2-(4-phenylphenyl)benzenesulfonic acid
CID 19793885
1,2-bis[1-(4-chlorophenyl)prop-2-enylsulfonyl]-3-phenylbenzene
CID 174755685
1-pentylsulfonyl-2-phenylbenzene
CID 69120120
azulene-1-sulfonic acid
CID 159727462
chromium(6+);hexakis(octalene-1-sulfonate)
CID 157485438
3-phenyl-4-prop-2-enylsulfonylpyrrole-2,5-dione
CID 175375503
chlorobenzene;2-phenylphenol
CID 161060319
1,1'-biphenyl;1-prop-2-enylsulfonyl-4-(4-prop-2-enylsulfonylphenyl)sulfanyloxysulfanylbenzene
CID 174624614
imino-methyl-oxo-(2-phenylphenyl)-λ6-sulfane
CID 162404688
1,2-dichlorobenzene;prop-2-ene-1-sulfonyl chloride
CID 174457967
fluorobenzene;prop-2-enylsulfonylbenzene
CID 174649158

Frequently Asked Questions

What is the IUPAC name of chlorobenzene;1-phenyl-2-prop-2-enylsulfonylbenzene?
The IUPAC name of chlorobenzene;1-phenyl-2-prop-2-enylsulfonylbenzene (CID 174599165) is chlorobenzene;1-phenyl-2-prop-2-enylsulfonylbenzene.
What is the SMILES notation for chlorobenzene;1-phenyl-2-prop-2-enylsulfonylbenzene?
The canonical SMILES for chlorobenzene;1-phenyl-2-prop-2-enylsulfonylbenzene is C=CCS(=O)(=O)c1ccccc1-c1ccccc1.Clc1ccccc1.
What is the InChIKey of chlorobenzene;1-phenyl-2-prop-2-enylsulfonylbenzene?
The InChIKey is QWZBVTSJISSZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S.C6H5Cl/c1-2-12-18(16,17)15-11-7-6-10-14(15)13-8-4-3-5-9-13;7-6-4-2-1-3-5-6/h2-11H,1,12H2;1-5H.
What are the key properties of chlorobenzene;1-phenyl-2-prop-2-enylsulfonylbenzene?
chlorobenzene;1-phenyl-2-prop-2-enylsulfonylbenzene has a molecular weight of 370.90 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chlorobenzene;1-phenyl-2-prop-2-enylsulfonylbenzene is sourced from PubChem (CID 174599165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).