1-(benzylsulfinylmethyl)-3-chlorobenzene

C14H13ClOS — CID 47022757

IUPAC1-(benzylsulfinylmethyl)-3-chlorobenzene
SMILESO=S(Cc1ccccc1)Cc1cccc(Cl)c1
InChIInChI=1S/C14H13ClOS/c15-14-8-4-7-13(9-14)11-17(16)10-12-5-2-1-3-6-12/h1-9H,10-11H2
InChIKeyRZNLTHJHFXGYNC-UHFFFAOYSA-N
MW264.78 g/mol
LogP3.79
Rot. Bonds4

About 1-(benzylsulfinylmethyl)-3-chlorobenzene

1-(benzylsulfinylmethyl)-3-chlorobenzene (PubChem CID 47022757) has the molecular formula C14H13ClOS and a molecular weight of 264.78 g/mol. Its IUPAC name is 1-(benzylsulfinylmethyl)-3-chlorobenzene.

Molecular Properties

Compound Name1-(benzylsulfinylmethyl)-3-chlorobenzene
PubChem CID47022757
Molecular FormulaC14H13ClOS
Molecular Weight264.78 g/mol
Exact Mass264.04
IUPAC Name1-(benzylsulfinylmethyl)-3-chlorobenzene
SMILESO=S(Cc1ccccc1)Cc1cccc(Cl)c1
InChIInChI=1S/C14H13ClOS/c15-14-8-4-7-13(9-14)11-17(16)10-12-5-2-1-3-6-12/h1-9H,10-11H2
InChIKeyRZNLTHJHFXGYNC-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-[(3-chlorophenyl)methylsulfinylmethyl]-2-methylbenzene
CID 51113106
1-(benzylsulfinylmethyl)-4-chlorobenzene
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2-[(R)-[3-(3-chlorophenyl)phenyl]methylsulfinyl]acetamide
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1-(benzylsulfinylmethyl)-4-(methylsulfinylmethyl)benzene
CID 139841360
(2S)-2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide
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2-[(R)-(3-chlorophenyl)methylsulfinyl]-N-(3-fluorophenyl)acetamide
CID 95169102
1-chloro-3-[(sulfinoamino)methyl]benzene
CID 23323237
3-[(3-chlorophenyl)methylsulfinyl]-2-methylaniline
CID 81190457
2-[[(R)-benzylsulfinyl]methyl]-5-tert-butyl-1,3-dimethylbenzene
CID 52504942
2-(naphthalen-2-ylmethylsulfinylmethyl)naphthalene
CID 14148730
1-chloro-3-[(R)-phenylsulfinyl]benzene
CID 93022884

Frequently Asked Questions

What is the IUPAC name of 1-(benzylsulfinylmethyl)-3-chlorobenzene?
The IUPAC name of 1-(benzylsulfinylmethyl)-3-chlorobenzene (CID 47022757) is 1-(benzylsulfinylmethyl)-3-chlorobenzene.
What is the SMILES notation for 1-(benzylsulfinylmethyl)-3-chlorobenzene?
The canonical SMILES for 1-(benzylsulfinylmethyl)-3-chlorobenzene is O=S(Cc1ccccc1)Cc1cccc(Cl)c1.
What is the InChIKey of 1-(benzylsulfinylmethyl)-3-chlorobenzene?
The InChIKey is RZNLTHJHFXGYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClOS/c15-14-8-4-7-13(9-14)11-17(16)10-12-5-2-1-3-6-12/h1-9H,10-11H2.
What are the key properties of 1-(benzylsulfinylmethyl)-3-chlorobenzene?
1-(benzylsulfinylmethyl)-3-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)-3-chlorobenzene is sourced from PubChem (CID 47022757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).