N-(3-bromo-2-pyridinyl)-2-methylsulfanylbenzamide

C13H11BrN2OS — CID 79214209

IUPACN-(3-bromo-2-pyridinyl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1ncccc1Br
InChIInChI=1S/C13H11BrN2OS/c1-18-11-7-3-2-5-9(11)13(17)16-12-10(14)6-4-8-15-12/h2-8H,1H3,(H,15,16,17)
InChIKeyBRWOPKSXVJWWDA-UHFFFAOYSA-N
MW323.22 g/mol
LogP3.82
Rot. Bonds3

About N-(3-bromo-2-pyridinyl)-2-methylsulfanylbenzamide

N-(3-bromo-2-pyridinyl)-2-methylsulfanylbenzamide (PubChem CID 79214209) has the molecular formula C13H11BrN2OS and a molecular weight of 323.22 g/mol. Its IUPAC name is N-(3-bromo-2-pyridinyl)-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(3-bromo-2-pyridinyl)-2-methylsulfanylbenzamide
PubChem CID79214209
Molecular FormulaC13H11BrN2OS
Molecular Weight323.22 g/mol
Exact Mass321.98
IUPAC NameN-(3-bromo-2-pyridinyl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1ncccc1Br
InChIInChI=1S/C13H11BrN2OS/c1-18-11-7-3-2-5-9(11)13(17)16-12-10(14)6-4-8-15-12/h2-8H,1H3,(H,15,16,17)
InChIKeyBRWOPKSXVJWWDA-UHFFFAOYSA-N
XLogP3.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-bromobenzoyl)-2-methylsulfanylbenzohydrazide
CID 4807983
N-(3-bromo-2-pyridinyl)-2,4-difluoro-5-methylbenzamide
CID 112696541
2-amino-N-(3-bromo-2-pyridinyl)-3-chlorobenzamide
CID 115540802
4-amino-N-(3-bromo-2-pyridinyl)pyridine-3-carboxamide
CID 81245467
N-(3-bromo-2-pyridinyl)-2-chlorofuran-3-carboxamide
CID 106685084
N-(3-bromo-4-methylphenyl)-2-methylsulfanylbenzamide
CID 112725117
2-bromo-N-(3-bromo-2-pyridinyl)propanamide
CID 107905388
N-(3-bromo-2-pyridinyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 66335259
N-(4-bromo-3-methylphenyl)-2-methylsulfanylbenzamide
CID 1243705
3-bromo-N-(3-chloro-2-pyridinyl)-2-fluorobenzamide
CID 106547626
2-methylsulfanyl-N-[4-[4-[(2-methylsulfanylbenzoyl)amino]phenyl]phenyl]benzamide
CID 43980757
N-(3-bromo-2-pyridinyl)-2-fluoro-6-hydroxybenzamide
CID 104929862

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-pyridinyl)-2-methylsulfanylbenzamide?
The IUPAC name of N-(3-bromo-2-pyridinyl)-2-methylsulfanylbenzamide (CID 79214209) is N-(3-bromo-2-pyridinyl)-2-methylsulfanylbenzamide.
What is the SMILES notation for N-(3-bromo-2-pyridinyl)-2-methylsulfanylbenzamide?
The canonical SMILES for N-(3-bromo-2-pyridinyl)-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)Nc1ncccc1Br.
What is the InChIKey of N-(3-bromo-2-pyridinyl)-2-methylsulfanylbenzamide?
The InChIKey is BRWOPKSXVJWWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2OS/c1-18-11-7-3-2-5-9(11)13(17)16-12-10(14)6-4-8-15-12/h2-8H,1H3,(H,15,16,17).
What are the key properties of N-(3-bromo-2-pyridinyl)-2-methylsulfanylbenzamide?
N-(3-bromo-2-pyridinyl)-2-methylsulfanylbenzamide has a molecular weight of 323.22 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-pyridinyl)-2-methylsulfanylbenzamide is sourced from PubChem (CID 79214209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).