2-chloro-N-(4-sulfanylphenyl)benzamide

C13H10ClNOS — CID 27137419

IUPAC2-chloro-N-(4-sulfanylphenyl)benzamide
SMILESO=C(Nc1ccc(S)cc1)c1ccccc1Cl
InChIInChI=1S/C13H10ClNOS/c14-12-4-2-1-3-11(12)13(16)15-9-5-7-10(17)8-6-9/h1-8,17H,(H,15,16)
InChIKeyAFXDVNTWIJXFAW-UHFFFAOYSA-N
MW263.75 g/mol
LogP3.88
Rot. Bonds2

About 2-chloro-N-(4-sulfanylphenyl)benzamide

2-chloro-N-(4-sulfanylphenyl)benzamide (PubChem CID 27137419) has the molecular formula C13H10ClNOS and a molecular weight of 263.75 g/mol. Its IUPAC name is 2-chloro-N-(4-sulfanylphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-sulfanylphenyl)benzamide
PubChem CID27137419
Molecular FormulaC13H10ClNOS
Molecular Weight263.75 g/mol
Exact Mass263.02
IUPAC Name2-chloro-N-(4-sulfanylphenyl)benzamide
SMILESO=C(Nc1ccc(S)cc1)c1ccccc1Cl
InChIInChI=1S/C13H10ClNOS/c14-12-4-2-1-3-11(12)13(16)15-9-5-7-10(17)8-6-9/h1-8,17H,(H,15,16)
InChIKeyAFXDVNTWIJXFAW-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-N-(4-sulfanylphenyl)benzamide
CID 143459356
2-methyl-N-(4-sulfanylphenyl)benzamide
CID 143459352
N-(3-acetyl-4-chlorophenyl)-2-chlorobenzamide
CID 22888926
2-chloro-N-(4-chlorophenyl)benzamide;4-chloro-N-(4-chlorophenyl)benzamide
CID 159735192
2-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2064029
2-chloro-N-[4-(1-hydroxyethyl)phenyl]benzamide
CID 43508377
2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 5119935
2-chloro-N-[4-(dimethylcarbamoyl)phenyl]benzamide
CID 8698586
2,3-dichloro-N-phenylbenzamide
CID 7732866
2-chloro-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide
CID 30257491
N-(3-acetamidophenyl)-2-chlorobenzamide
CID 792012
2-chloro-N-[4-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzamide
CID 2990559

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-sulfanylphenyl)benzamide?
The IUPAC name of 2-chloro-N-(4-sulfanylphenyl)benzamide (CID 27137419) is 2-chloro-N-(4-sulfanylphenyl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-sulfanylphenyl)benzamide?
The canonical SMILES for 2-chloro-N-(4-sulfanylphenyl)benzamide is O=C(Nc1ccc(S)cc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(4-sulfanylphenyl)benzamide?
The InChIKey is AFXDVNTWIJXFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNOS/c14-12-4-2-1-3-11(12)13(16)15-9-5-7-10(17)8-6-9/h1-8,17H,(H,15,16).
What are the key properties of 2-chloro-N-(4-sulfanylphenyl)benzamide?
2-chloro-N-(4-sulfanylphenyl)benzamide has a molecular weight of 263.75 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-sulfanylphenyl)benzamide is sourced from PubChem (CID 27137419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).