1-(benzylsulfinylmethyl)-4-chlorobenzene

C14H13ClOS — CID 12907855

IUPAC1-(benzylsulfinylmethyl)-4-chlorobenzene
SMILESO=S(Cc1ccccc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H13ClOS/c15-14-8-6-13(7-9-14)11-17(16)10-12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyJWBPNABELLAWOA-UHFFFAOYSA-N
MW264.78 g/mol
LogP3.79
Rot. Bonds4

About 1-(benzylsulfinylmethyl)-4-chlorobenzene

1-(benzylsulfinylmethyl)-4-chlorobenzene (PubChem CID 12907855) has the molecular formula C14H13ClOS and a molecular weight of 264.78 g/mol. Its IUPAC name is 1-(benzylsulfinylmethyl)-4-chlorobenzene.

Molecular Properties

Compound Name1-(benzylsulfinylmethyl)-4-chlorobenzene
PubChem CID12907855
Molecular FormulaC14H13ClOS
Molecular Weight264.78 g/mol
Exact Mass264.04
IUPAC Name1-(benzylsulfinylmethyl)-4-chlorobenzene
SMILESO=S(Cc1ccccc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H13ClOS/c15-14-8-6-13(7-9-14)11-17(16)10-12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyJWBPNABELLAWOA-UHFFFAOYSA-N
XLogP3.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(benzylsulfinylmethyl)-3-chlorobenzene
CID 47022757
4-[(4-chlorophenyl)methylsulfinylmethyl]benzoic acid
CID 114790855
1-[(4-chlorophenyl)methylsulfinylmethyl]-2-methylbenzene
CID 47022745
1-(benzylsulfinylmethyl)-4-(methylsulfinylmethyl)benzene
CID 139841360
1-tert-butyl-4-[[(S)-(4-chlorophenyl)methylsulfinyl]methyl]benzene
CID 52513153
2-[(R)-benzylsulfinyl]-N-(4-chlorophenyl)acetamide
CID 95169344
2-[[(S)-benzylsulfinyl]methyl]-1-chloro-3-fluorobenzene
CID 94798093
2-[2-[(4-chlorophenyl)methylsulfinyl]ethyl]aniline
CID 114790905
3-[(4-chlorophenyl)methylsulfinyl]-2-methylpropanoic acid
CID 64914967
2-[(4-chlorophenyl)methylsulfinyl]-2,2-difluoroacetic acid
CID 114790846
1-(2-benzylsulfinylethyl)-3-[(4-chlorophenyl)methyl]-2-methylguanidine
CID 111760719
1-(2-benzylsulfinylethyl)-3-[2-(4-chlorophenyl)ethyl]-2-methylguanidine
CID 111762563

Frequently Asked Questions

What is the IUPAC name of 1-(benzylsulfinylmethyl)-4-chlorobenzene?
The IUPAC name of 1-(benzylsulfinylmethyl)-4-chlorobenzene (CID 12907855) is 1-(benzylsulfinylmethyl)-4-chlorobenzene.
What is the SMILES notation for 1-(benzylsulfinylmethyl)-4-chlorobenzene?
The canonical SMILES for 1-(benzylsulfinylmethyl)-4-chlorobenzene is O=S(Cc1ccccc1)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(benzylsulfinylmethyl)-4-chlorobenzene?
The InChIKey is JWBPNABELLAWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClOS/c15-14-8-6-13(7-9-14)11-17(16)10-12-4-2-1-3-5-12/h1-9H,10-11H2.
What are the key properties of 1-(benzylsulfinylmethyl)-4-chlorobenzene?
1-(benzylsulfinylmethyl)-4-chlorobenzene has a molecular weight of 264.78 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylsulfinylmethyl)-4-chlorobenzene is sourced from PubChem (CID 12907855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).