N-(5-chloro-2-phenylsulfanylphenyl)benzamide

C19H14ClNOS — CID 11702854

IUPACN-(5-chloro-2-phenylsulfanylphenyl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1Sc1ccccc1)c1ccccc1
InChIInChI=1S/C19H14ClNOS/c20-15-11-12-18(23-16-9-5-2-6-10-16)17(13-15)21-19(22)14-7-3-1-4-8-14/h1-13H,(H,21,22)
InChIKeyUHGVBEUDRRTCAK-UHFFFAOYSA-N
MW339.85 g/mol
LogP5.74
Rot. Bonds4

About N-(5-chloro-2-phenylsulfanylphenyl)benzamide

N-(5-chloro-2-phenylsulfanylphenyl)benzamide (PubChem CID 11702854) has the molecular formula C19H14ClNOS and a molecular weight of 339.85 g/mol. Its IUPAC name is N-(5-chloro-2-phenylsulfanylphenyl)benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenylsulfanylphenyl)benzamide
PubChem CID11702854
Molecular FormulaC19H14ClNOS
Molecular Weight339.85 g/mol
Exact Mass339.05
IUPAC NameN-(5-chloro-2-phenylsulfanylphenyl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1Sc1ccccc1)c1ccccc1
InChIInChI=1S/C19H14ClNOS/c20-15-11-12-18(23-16-9-5-2-6-10-16)17(13-15)21-19(22)14-7-3-1-4-8-14/h1-13H,(H,21,22)
InChIKeyUHGVBEUDRRTCAK-UHFFFAOYSA-N
XLogP5.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.85
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenylsulfanylphenyl)benzamide?
The IUPAC name of N-(5-chloro-2-phenylsulfanylphenyl)benzamide (CID 11702854) is N-(5-chloro-2-phenylsulfanylphenyl)benzamide.
What is the SMILES notation for N-(5-chloro-2-phenylsulfanylphenyl)benzamide?
The canonical SMILES for N-(5-chloro-2-phenylsulfanylphenyl)benzamide is O=C(Nc1cc(Cl)ccc1Sc1ccccc1)c1ccccc1.
What is the InChIKey of N-(5-chloro-2-phenylsulfanylphenyl)benzamide?
The InChIKey is UHGVBEUDRRTCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNOS/c20-15-11-12-18(23-16-9-5-2-6-10-16)17(13-15)21-19(22)14-7-3-1-4-8-14/h1-13H,(H,21,22).
What are the key properties of N-(5-chloro-2-phenylsulfanylphenyl)benzamide?
N-(5-chloro-2-phenylsulfanylphenyl)benzamide has a molecular weight of 339.85 g/mol, XLogP of 5.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenylsulfanylphenyl)benzamide is sourced from PubChem (CID 11702854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).