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

C13H9BrClNOS — CID 107033062

IUPACN-(2-bromo-5-chlorophenyl)-2-sulfanylbenzamide
SMILESO=C(Nc1cc(Cl)ccc1Br)c1ccccc1S
InChIInChI=1S/C13H9BrClNOS/c14-10-6-5-8(15)7-11(10)16-13(17)9-3-1-2-4-12(9)18/h1-7,18H,(H,16,17)
InChIKeyQQSLMVAKPTZQFY-UHFFFAOYSA-N
MW342.65 g/mol
LogP4.64
Rot. Bonds2

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

N-(2-bromo-5-chlorophenyl)-2-sulfanylbenzamide (PubChem CID 107033062) has the molecular formula C13H9BrClNOS and a molecular weight of 342.65 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)-2-sulfanylbenzamide.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)-2-sulfanylbenzamide
PubChem CID107033062
Molecular FormulaC13H9BrClNOS
Molecular Weight342.65 g/mol
Exact Mass340.93
IUPAC NameN-(2-bromo-5-chlorophenyl)-2-sulfanylbenzamide
SMILESO=C(Nc1cc(Cl)ccc1Br)c1ccccc1S
InChIInChI=1S/C13H9BrClNOS/c14-10-6-5-8(15)7-11(10)16-13(17)9-3-1-2-4-12(9)18/h1-7,18H,(H,16,17)
InChIKeyQQSLMVAKPTZQFY-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

2-amino-N-(2-bromo-5-chlorophenyl)benzamide
CID 81263172
N-(2-bromo-5-chlorophenyl)-2-chloro-5-sulfanylbenzamide
CID 107033057
N-(2-bromo-5-chlorophenyl)-2-(difluoromethoxy)benzamide
CID 81260760
N-(2-bromo-5-chlorophenyl)-3-hydroxy-2-methylbenzamide
CID 82829711
N-(2-bromo-5-chlorophenyl)-2-(propylamino)benzamide
CID 81280415
2,4-dibromo-N-(2-bromo-5-chlorophenyl)benzamide
CID 114018389
N-(2-bromo-5-chlorophenyl)pyridine-2-carboxamide
CID 81271946
N-(2-bromo-5-chlorophenyl)-2-[2-(methylamino)ethyl]benzamide
CID 104548150
N-(2-bromo-5-chlorophenyl)-2-chloro-5-hydroxybenzamide
CID 106501145
2-bromo-N-(2-bromo-5-chlorophenyl)-5-methylbenzamide
CID 81270262
4-bromo-N-(2-bromo-5-chlorophenyl)-2-chlorobenzamide
CID 81271772
2-[(2-bromobenzoyl)amino]-4-chlorobenzoate
CID 6981039

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)-2-sulfanylbenzamide?
The IUPAC name of N-(2-bromo-5-chlorophenyl)-2-sulfanylbenzamide (CID 107033062) is N-(2-bromo-5-chlorophenyl)-2-sulfanylbenzamide.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)-2-sulfanylbenzamide?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)-2-sulfanylbenzamide is O=C(Nc1cc(Cl)ccc1Br)c1ccccc1S.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)-2-sulfanylbenzamide?
The InChIKey is QQSLMVAKPTZQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClNOS/c14-10-6-5-8(15)7-11(10)16-13(17)9-3-1-2-4-12(9)18/h1-7,18H,(H,16,17).
What are the key properties of N-(2-bromo-5-chlorophenyl)-2-sulfanylbenzamide?
N-(2-bromo-5-chlorophenyl)-2-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-(2-bromo-5-chlorophenyl)-2-sulfanylbenzamide is sourced from PubChem (CID 107033062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).