N-(5-bromo-2-chlorophenyl)-3-sulfanylbenzamide

C13H9BrClNOS — CID 107028850

IUPACN-(5-bromo-2-chlorophenyl)-3-sulfanylbenzamide
SMILESO=C(Nc1cc(Br)ccc1Cl)c1cccc(S)c1
InChIInChI=1S/C13H9BrClNOS/c14-9-4-5-11(15)12(7-9)16-13(17)8-2-1-3-10(18)6-8/h1-7,18H,(H,16,17)
InChIKeyPRGQNPKCYQMYLG-UHFFFAOYSA-N
MW342.65 g/mol
LogP4.64
Rot. Bonds2

About N-(5-bromo-2-chlorophenyl)-3-sulfanylbenzamide

N-(5-bromo-2-chlorophenyl)-3-sulfanylbenzamide (PubChem CID 107028850) has the molecular formula C13H9BrClNOS and a molecular weight of 342.65 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)-3-sulfanylbenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)-3-sulfanylbenzamide
PubChem CID107028850
Molecular FormulaC13H9BrClNOS
Molecular Weight342.65 g/mol
Exact Mass340.93
IUPAC NameN-(5-bromo-2-chlorophenyl)-3-sulfanylbenzamide
SMILESO=C(Nc1cc(Br)ccc1Cl)c1cccc(S)c1
InChIInChI=1S/C13H9BrClNOS/c14-9-4-5-11(15)12(7-9)16-13(17)8-2-1-3-10(18)6-8/h1-7,18H,(H,16,17)
InChIKeyPRGQNPKCYQMYLG-UHFFFAOYSA-N
XLogP4.64
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.65
LogP ≤ 54.64
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

N-(5-bromo-2-chlorophenyl)-3-(trifluoromethyl)benzamide
CID 62909273
3-bromo-N-(2,5-dichlorophenyl)benzamide
CID 765435
N-(5-amino-2-chlorophenyl)-3-bromobenzamide
CID 28866832
3-bromo-N-(5-bromo-2-chlorophenyl)-5-chlorobenzamide
CID 107939178
N-(5-bromo-2-chlorophenyl)-5-iodothiophene-3-carboxamide
CID 78948478
3-bromo-N-(2-chloro-5-methoxyphenyl)benzamide
CID 47408337
N-(5-bromo-2-chlorophenyl)-2,3-dihydroxybenzamide
CID 114343698
N-(5-bromo-2-chlorophenyl)-4-chloro-3-nitrobenzamide
CID 62908558
3-amino-N-(5-bromo-2-chlorophenyl)-4,5-dichlorobenzamide
CID 62915199
N-(5-bromo-2-chlorophenyl)-1H-indazole-6-carboxamide
CID 62909267
1-N,3-N-bis(2-chloro-5-methylphenyl)benzene-1,3-dicarboxamide
CID 4179240
N-(3,5-dimethylphenyl)-3-sulfanylbenzamide
CID 107021223

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)-3-sulfanylbenzamide?
The IUPAC name of N-(5-bromo-2-chlorophenyl)-3-sulfanylbenzamide (CID 107028850) is N-(5-bromo-2-chlorophenyl)-3-sulfanylbenzamide.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)-3-sulfanylbenzamide?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)-3-sulfanylbenzamide is O=C(Nc1cc(Br)ccc1Cl)c1cccc(S)c1.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)-3-sulfanylbenzamide?
The InChIKey is PRGQNPKCYQMYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClNOS/c14-9-4-5-11(15)12(7-9)16-13(17)8-2-1-3-10(18)6-8/h1-7,18H,(H,16,17).
What are the key properties of N-(5-bromo-2-chlorophenyl)-3-sulfanylbenzamide?
N-(5-bromo-2-chlorophenyl)-3-sulfanylbenzamide has a molecular weight of 342.65 g/mol, XLogP of 4.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chlorophenyl)-3-sulfanylbenzamide is sourced from PubChem (CID 107028850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).