1-[2-(4-chlorophenyl)sulfanyl-5-nitrosophenyl]ethanone

C14H10ClNO2S — CID 91875783

IUPAC1-[2-(4-chlorophenyl)sulfanyl-5-nitrosophenyl]ethanone
SMILESCC(=O)c1cc(N=O)ccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C14H10ClNO2S/c1-9(17)13-8-11(16-18)4-7-14(13)19-12-5-2-10(15)3-6-12/h2-8H,1H3
InChIKeyWRFXNSHAXIGUTC-UHFFFAOYSA-N
MW291.76 g/mol
LogP5.09
Rot. Bonds4

About 1-[2-(4-chlorophenyl)sulfanyl-5-nitrosophenyl]ethanone

1-[2-(4-chlorophenyl)sulfanyl-5-nitrosophenyl]ethanone (PubChem CID 91875783) has the molecular formula C14H10ClNO2S and a molecular weight of 291.76 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)sulfanyl-5-nitrosophenyl]ethanone.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)sulfanyl-5-nitrosophenyl]ethanone
PubChem CID91875783
Molecular FormulaC14H10ClNO2S
Molecular Weight291.76 g/mol
Exact Mass291.01
IUPAC Name1-[2-(4-chlorophenyl)sulfanyl-5-nitrosophenyl]ethanone
SMILESCC(=O)c1cc(N=O)ccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C14H10ClNO2S/c1-9(17)13-8-11(16-18)4-7-14(13)19-12-5-2-10(15)3-6-12/h2-8H,1H3
InChIKeyWRFXNSHAXIGUTC-UHFFFAOYSA-N
XLogP5.09
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.76
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)sulfanyl-5-nitrosophenyl]ethanone?
The IUPAC name of 1-[2-(4-chlorophenyl)sulfanyl-5-nitrosophenyl]ethanone (CID 91875783) is 1-[2-(4-chlorophenyl)sulfanyl-5-nitrosophenyl]ethanone.
What is the SMILES notation for 1-[2-(4-chlorophenyl)sulfanyl-5-nitrosophenyl]ethanone?
The canonical SMILES for 1-[2-(4-chlorophenyl)sulfanyl-5-nitrosophenyl]ethanone is CC(=O)c1cc(N=O)ccc1Sc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)sulfanyl-5-nitrosophenyl]ethanone?
The InChIKey is WRFXNSHAXIGUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO2S/c1-9(17)13-8-11(16-18)4-7-14(13)19-12-5-2-10(15)3-6-12/h2-8H,1H3.
What are the key properties of 1-[2-(4-chlorophenyl)sulfanyl-5-nitrosophenyl]ethanone?
1-[2-(4-chlorophenyl)sulfanyl-5-nitrosophenyl]ethanone has a molecular weight of 291.76 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)sulfanyl-5-nitrosophenyl]ethanone is sourced from PubChem (CID 91875783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).