1-chloro-3-[(R)-phenylsulfinyl]benzene

C12H9ClOS — CID 93022884

IUPAC1-chloro-3-[(R)-phenylsulfinyl]benzene
SMILESO=[S@](c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C12H9ClOS/c13-10-5-4-8-12(9-10)15(14)11-6-2-1-3-7-11/h1-9H/t15-/m1/s1
InChIKeyUDLROEUYJDJKOD-OAHLLOKOSA-N
MW236.72 g/mol
LogP3.51
Rot. Bonds2

About 1-chloro-3-[(R)-phenylsulfinyl]benzene

1-chloro-3-[(R)-phenylsulfinyl]benzene (PubChem CID 93022884) has the molecular formula C12H9ClOS and a molecular weight of 236.72 g/mol. Its IUPAC name is 1-chloro-3-[(R)-phenylsulfinyl]benzene.

Molecular Properties

Compound Name1-chloro-3-[(R)-phenylsulfinyl]benzene
PubChem CID93022884
Molecular FormulaC12H9ClOS
Molecular Weight236.72 g/mol
Exact Mass236.01
IUPAC Name1-chloro-3-[(R)-phenylsulfinyl]benzene
SMILESO=[S@](c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C12H9ClOS/c13-10-5-4-8-12(9-10)15(14)11-6-2-1-3-7-11/h1-9H/t15-/m1/s1
InChIKeyUDLROEUYJDJKOD-OAHLLOKOSA-N
XLogP3.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.72
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-chloro-3-[(R)-phenylsulfinyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(benzenesulfinyl)-4-[4-[4-(benzenesulfinyl)phenyl]sulfinylphenyl]sulfinylbenzene
CID 102303456
4-(benzenesulfinyl)-2,6-dichloropyridine
CID 118642020
benzenesulfinylbenzene;trichloro(methyl)silane
CID 68863151
3-(3-chlorophenyl)sulfinyl-2,2-dimethylpropanoic acid
CID 79620487
6-(3-chlorophenyl)sulfinyl-1-methyl-2,3-dihydro-1-benzoborole
CID 58404209
2-(3-chlorophenyl)sulfinylethanamine
CID 62645966
4-(3-chlorophenyl)sulfinyl-1H-indole
CID 142454062
2-(benzenesulfinyl)-1-(3-chlorophenyl)ethanone
CID 64636282
1-chloro-3-(2,2,2-trifluoroethylsulfinyl)benzene
CID 174056486
4-(3-chlorophenyl)sulfinyl-1-phenylbutan-1-one
CID 64635675
1-(benzylsulfinylmethyl)-3-chlorobenzene
CID 47022757
1-(benzenesulfinyl)-4-fluorobenzene
CID 21200956

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[(R)-phenylsulfinyl]benzene?
The IUPAC name of 1-chloro-3-[(R)-phenylsulfinyl]benzene (CID 93022884) is 1-chloro-3-[(R)-phenylsulfinyl]benzene.
What is the SMILES notation for 1-chloro-3-[(R)-phenylsulfinyl]benzene?
The canonical SMILES for 1-chloro-3-[(R)-phenylsulfinyl]benzene is O=[S@](c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 1-chloro-3-[(R)-phenylsulfinyl]benzene?
The InChIKey is UDLROEUYJDJKOD-OAHLLOKOSA-N. The full InChI is InChI=1S/C12H9ClOS/c13-10-5-4-8-12(9-10)15(14)11-6-2-1-3-7-11/h1-9H/t15-/m1/s1.
What are the key properties of 1-chloro-3-[(R)-phenylsulfinyl]benzene?
1-chloro-3-[(R)-phenylsulfinyl]benzene has a molecular weight of 236.72 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[(R)-phenylsulfinyl]benzene is sourced from PubChem (CID 93022884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).