[4-(3-chlorophenyl)sulfanylphenyl]-phenylmethanone

C19H13ClOS — CID 70168814

IUPAC[4-(3-chlorophenyl)sulfanylphenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(Sc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H13ClOS/c20-16-7-4-8-18(13-16)22-17-11-9-15(10-12-17)19(21)14-5-2-1-3-6-14/h1-13H
InChIKeyDHCXKARSTZQGKC-UHFFFAOYSA-N
MW324.83 g/mol
LogP5.72
Rot. Bonds4

About [4-(3-chlorophenyl)sulfanylphenyl]-phenylmethanone

[4-(3-chlorophenyl)sulfanylphenyl]-phenylmethanone (PubChem CID 70168814) has the molecular formula C19H13ClOS and a molecular weight of 324.83 g/mol. Its IUPAC name is [4-(3-chlorophenyl)sulfanylphenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)sulfanylphenyl]-phenylmethanone
PubChem CID70168814
Molecular FormulaC19H13ClOS
Molecular Weight324.83 g/mol
Exact Mass324.04
IUPAC Name[4-(3-chlorophenyl)sulfanylphenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(Sc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H13ClOS/c20-16-7-4-8-18(13-16)22-17-11-9-15(10-12-17)19(21)14-5-2-1-3-6-14/h1-13H
InChIKeyDHCXKARSTZQGKC-UHFFFAOYSA-N
XLogP5.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.83
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)sulfanylbenzoic acid
CID 15727819
bis(diphenylmethanone);phenylsulfanylbenzene
CID 159073316
[3-chloro-4-(4-phenylsulfanylphenyl)sulfanylphenyl]-phenylmethanone
CID 142305551
4-(3-chlorophenyl)sulfanyl-2-methylbenzoic acid
CID 81294140
(2-methyl-4-phenylsulfanylphenyl)-phenylmethanone
CID 141421522
[4-[4-(aminomethyl)phenyl]sulfanylphenyl]-phenylmethanone
CID 150446587
1-chloro-3-(4-methylphenyl)sulfanylbenzene
CID 91027886
[3-chloro-4-[4-(4-fluorophenyl)sulfanylphenyl]sulfanylphenyl]-phenylmethanone
CID 71231895
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
[4-(benzenesulfinyl)phenyl]-(4-phenylsulfanylphenyl)methanone
CID 169083095
(4-aminosulfanylphenyl)-phenylmethanone
CID 174353142
2-[4-(4-benzoylphenyl)sulfanylphenyl]-1-phenylethanone
CID 151688596

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)sulfanylphenyl]-phenylmethanone?
The IUPAC name of [4-(3-chlorophenyl)sulfanylphenyl]-phenylmethanone (CID 70168814) is [4-(3-chlorophenyl)sulfanylphenyl]-phenylmethanone.
What is the SMILES notation for [4-(3-chlorophenyl)sulfanylphenyl]-phenylmethanone?
The canonical SMILES for [4-(3-chlorophenyl)sulfanylphenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(Sc2cccc(Cl)c2)cc1.
What is the InChIKey of [4-(3-chlorophenyl)sulfanylphenyl]-phenylmethanone?
The InChIKey is DHCXKARSTZQGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClOS/c20-16-7-4-8-18(13-16)22-17-11-9-15(10-12-17)19(21)14-5-2-1-3-6-14/h1-13H.
What are the key properties of [4-(3-chlorophenyl)sulfanylphenyl]-phenylmethanone?
[4-(3-chlorophenyl)sulfanylphenyl]-phenylmethanone has a molecular weight of 324.83 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)sulfanylphenyl]-phenylmethanone is sourced from PubChem (CID 70168814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).