N-(5-bromo-2-cyanophenyl)-2-methylsulfanylbenzamide

C15H11BrN2OS — CID 104880187

IUPACN-(5-bromo-2-cyanophenyl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1cc(Br)ccc1C#N
InChIInChI=1S/C15H11BrN2OS/c1-20-14-5-3-2-4-12(14)15(19)18-13-8-11(16)7-6-10(13)9-17/h2-8H,1H3,(H,18,19)
InChIKeyOSUNTZYGFCLVLL-UHFFFAOYSA-N
MW347.24 g/mol
LogP4.29
Rot. Bonds3

About N-(5-bromo-2-cyanophenyl)-2-methylsulfanylbenzamide

N-(5-bromo-2-cyanophenyl)-2-methylsulfanylbenzamide (PubChem CID 104880187) has the molecular formula C15H11BrN2OS and a molecular weight of 347.24 g/mol. Its IUPAC name is N-(5-bromo-2-cyanophenyl)-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-cyanophenyl)-2-methylsulfanylbenzamide
PubChem CID104880187
Molecular FormulaC15H11BrN2OS
Molecular Weight347.24 g/mol
Exact Mass345.98
IUPAC NameN-(5-bromo-2-cyanophenyl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1cc(Br)ccc1C#N
InChIInChI=1S/C15H11BrN2OS/c1-20-14-5-3-2-4-12(14)15(19)18-13-8-11(16)7-6-10(13)9-17/h2-8H,1H3,(H,18,19)
InChIKeyOSUNTZYGFCLVLL-UHFFFAOYSA-N
XLogP4.29
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-cyanophenyl)-2-(methylamino)benzamide
CID 107799477
N-(5-bromo-2-cyanophenyl)-2-ethylbenzamide
CID 104880168
N-(5-bromo-2-cyanophenyl)-4-methylsulfanylbenzamide
CID 104880146
N-(5-bromo-2-carbamothioylphenyl)-2-methylsulfanylbenzamide
CID 107798777
N-(4-bromo-2-ethylphenyl)-2-methylsulfanylbenzamide
CID 81035804
N-(5-bromo-2-cyanophenyl)-2,3-dichlorobenzamide
CID 104880179
4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 104880230
N-(5-bromo-2-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 107798369
N-(5-cyano-2-methylphenyl)-2-methylsulfanylbenzamide
CID 78981326
N-(5-bromo-2-cyanophenyl)-4-chloro-2,5-difluorobenzamide
CID 104880416
N-(5-bromo-2-cyanophenyl)-2-methylsulfanylacetamide
CID 104880341
N-(5-bromo-2-cyanophenyl)-5-chloro-2-(methylamino)benzamide
CID 107801239

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-cyanophenyl)-2-methylsulfanylbenzamide?
The IUPAC name of N-(5-bromo-2-cyanophenyl)-2-methylsulfanylbenzamide (CID 104880187) is N-(5-bromo-2-cyanophenyl)-2-methylsulfanylbenzamide.
What is the SMILES notation for N-(5-bromo-2-cyanophenyl)-2-methylsulfanylbenzamide?
The canonical SMILES for N-(5-bromo-2-cyanophenyl)-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)Nc1cc(Br)ccc1C#N.
What is the InChIKey of N-(5-bromo-2-cyanophenyl)-2-methylsulfanylbenzamide?
The InChIKey is OSUNTZYGFCLVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2OS/c1-20-14-5-3-2-4-12(14)15(19)18-13-8-11(16)7-6-10(13)9-17/h2-8H,1H3,(H,18,19).
What are the key properties of N-(5-bromo-2-cyanophenyl)-2-methylsulfanylbenzamide?
N-(5-bromo-2-cyanophenyl)-2-methylsulfanylbenzamide has a molecular weight of 347.24 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-cyanophenyl)-2-methylsulfanylbenzamide is sourced from PubChem (CID 104880187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).