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

C13H10ClNOS — CID 27138051

IUPAC4-chloro-N-(2-sulfanylphenyl)benzamide
SMILESO=C(Nc1ccccc1S)c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClNOS/c14-10-7-5-9(6-8-10)13(16)15-11-3-1-2-4-12(11)17/h1-8,17H,(H,15,16)
InChIKeyRWCZFCJUMZVTJK-UHFFFAOYSA-N
MW263.75 g/mol
LogP3.88
Rot. Bonds2

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

4-chloro-N-(2-sulfanylphenyl)benzamide (PubChem CID 27138051) has the molecular formula C13H10ClNOS and a molecular weight of 263.75 g/mol. Its IUPAC name is 4-chloro-N-(2-sulfanylphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-sulfanylphenyl)benzamide
PubChem CID27138051
Molecular FormulaC13H10ClNOS
Molecular Weight263.75 g/mol
Exact Mass263.02
IUPAC Name4-chloro-N-(2-sulfanylphenyl)benzamide
SMILESO=C(Nc1ccccc1S)c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClNOS/c14-10-7-5-9(6-8-10)13(16)15-11-3-1-2-4-12(11)17/h1-8,17H,(H,15,16)
InChIKeyRWCZFCJUMZVTJK-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

Benzamide, N-(4-chlorophenyl)-
CID 96646
N-(3-Chlorophenyl)benzamide
CID 95833
N-(2-Chlorophenyl)benzamide
CID 13918
3,4-dichloro-N-phenylbenzamide
CID 504156
3'-Chloro-M-toluanilide
CID 531963
N-(2-chlorophenyl)-4-methylbenzamide
CID 723111
2,2'-Dichlorobenzanilide
CID 221407
N-(3-chlorophenyl)-3-fluorobenzamide
CID 532008
4-chloro-N-(3-chlorophenyl)benzamide
CID 346674
2-chloro-N-(3-chlorophenyl)benzamide
CID 347063
4-Chloro-M-benzotoluidide
CID 348519
N-(4-Aminophenyl)-4-chlorobenzamide
CID 960654

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-sulfanylphenyl)benzamide?
The IUPAC name of 4-chloro-N-(2-sulfanylphenyl)benzamide (CID 27138051) is 4-chloro-N-(2-sulfanylphenyl)benzamide.
What is the SMILES notation for 4-chloro-N-(2-sulfanylphenyl)benzamide?
The canonical SMILES for 4-chloro-N-(2-sulfanylphenyl)benzamide is O=C(Nc1ccccc1S)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-sulfanylphenyl)benzamide?
The InChIKey is RWCZFCJUMZVTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNOS/c14-10-7-5-9(6-8-10)13(16)15-11-3-1-2-4-12(11)17/h1-8,17H,(H,15,16).
What are the key properties of 4-chloro-N-(2-sulfanylphenyl)benzamide?
4-chloro-N-(2-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 4-chloro-N-(2-sulfanylphenyl)benzamide is sourced from PubChem (CID 27138051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).