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

C19H14ClNO2S — CID 3059478

IUPAC5-chloro-2-hydroxy-N-(2-phenylsulfanylphenyl)benzamide
SMILESO=C(Nc1ccccc1Sc1ccccc1)c1cc(Cl)ccc1O
InChIInChI=1S/C19H14ClNO2S/c20-13-10-11-17(22)15(12-13)19(23)21-16-8-4-5-9-18(16)24-14-6-2-1-3-7-14/h1-12,22H,(H,21,23)
InChIKeyUUDZSXXQKKCZRB-UHFFFAOYSA-N
MW355.85 g/mol
LogP5.45
Rot. Bonds4

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

5-chloro-2-hydroxy-N-(2-phenylsulfanylphenyl)benzamide (PubChem CID 3059478) has the molecular formula C19H14ClNO2S and a molecular weight of 355.85 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-(2-phenylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-(2-phenylsulfanylphenyl)benzamide
PubChem CID3059478
Molecular FormulaC19H14ClNO2S
Molecular Weight355.85 g/mol
Exact Mass355.04
IUPAC Name5-chloro-2-hydroxy-N-(2-phenylsulfanylphenyl)benzamide
SMILESO=C(Nc1ccccc1Sc1ccccc1)c1cc(Cl)ccc1O
InChIInChI=1S/C19H14ClNO2S/c20-13-10-11-17(22)15(12-13)19(23)21-16-8-4-5-9-18(16)24-14-6-2-1-3-7-14/h1-12,22H,(H,21,23)
InChIKeyUUDZSXXQKKCZRB-UHFFFAOYSA-N
XLogP5.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.85
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-(2-phenylsulfanylphenyl)benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-(2-phenylsulfanylphenyl)benzamide (CID 3059478) is 5-chloro-2-hydroxy-N-(2-phenylsulfanylphenyl)benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-(2-phenylsulfanylphenyl)benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-(2-phenylsulfanylphenyl)benzamide is O=C(Nc1ccccc1Sc1ccccc1)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-2-hydroxy-N-(2-phenylsulfanylphenyl)benzamide?
The InChIKey is UUDZSXXQKKCZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO2S/c20-13-10-11-17(22)15(12-13)19(23)21-16-8-4-5-9-18(16)24-14-6-2-1-3-7-14/h1-12,22H,(H,21,23).
What are the key properties of 5-chloro-2-hydroxy-N-(2-phenylsulfanylphenyl)benzamide?
5-chloro-2-hydroxy-N-(2-phenylsulfanylphenyl)benzamide has a molecular weight of 355.85 g/mol, XLogP of 5.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-(2-phenylsulfanylphenyl)benzamide is sourced from PubChem (CID 3059478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).