N-(5-bromo-3-pyridinyl)-3-sulfanylbenzamide

C12H9BrN2OS — CID 114222934

IUPACN-(5-bromo-3-pyridinyl)-3-sulfanylbenzamide
SMILESO=C(Nc1cncc(Br)c1)c1cccc(S)c1
InChIInChI=1S/C12H9BrN2OS/c13-9-5-10(7-14-6-9)15-12(16)8-2-1-3-11(17)4-8/h1-7,17H,(H,15,16)
InChIKeyNQLOWJBQKVQKOG-UHFFFAOYSA-N
MW309.19 g/mol
LogP3.39
Rot. Bonds2

About N-(5-bromo-3-pyridinyl)-3-sulfanylbenzamide

N-(5-bromo-3-pyridinyl)-3-sulfanylbenzamide (PubChem CID 114222934) has the molecular formula C12H9BrN2OS and a molecular weight of 309.19 g/mol. Its IUPAC name is N-(5-bromo-3-pyridinyl)-3-sulfanylbenzamide.

Molecular Properties

Compound NameN-(5-bromo-3-pyridinyl)-3-sulfanylbenzamide
PubChem CID114222934
Molecular FormulaC12H9BrN2OS
Molecular Weight309.19 g/mol
Exact Mass307.96
IUPAC NameN-(5-bromo-3-pyridinyl)-3-sulfanylbenzamide
SMILESO=C(Nc1cncc(Br)c1)c1cccc(S)c1
InChIInChI=1S/C12H9BrN2OS/c13-9-5-10(7-14-6-9)15-12(16)8-2-1-3-11(17)4-8/h1-7,17H,(H,15,16)
InChIKeyNQLOWJBQKVQKOG-UHFFFAOYSA-N
XLogP3.39
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-3-pyridinyl)-3-methylbenzamide
CID 110869014
[3-[(5-bromo-3-pyridinyl)carbamoyl]phenyl] propanoate
CID 68948518
N-(3,5-dimethylphenyl)-3-sulfanylbenzamide
CID 107021223
N-(5-bromo-3-pyridinyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 113339578
N-(4-iodophenyl)-3-sulfanylbenzamide
CID 107022116
N-(5-bromo-2-chlorophenyl)-3-sulfanylbenzamide
CID 107028850
3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
CID 107033720
3-bromo-N-pyridin-4-ylbenzamide
CID 4130300
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
N-quinolin-6-yl-3-sulfanylbenzamide
CID 107028522
5-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide
CID 33152161

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-pyridinyl)-3-sulfanylbenzamide?
The IUPAC name of N-(5-bromo-3-pyridinyl)-3-sulfanylbenzamide (CID 114222934) is N-(5-bromo-3-pyridinyl)-3-sulfanylbenzamide.
What is the SMILES notation for N-(5-bromo-3-pyridinyl)-3-sulfanylbenzamide?
The canonical SMILES for N-(5-bromo-3-pyridinyl)-3-sulfanylbenzamide is O=C(Nc1cncc(Br)c1)c1cccc(S)c1.
What is the InChIKey of N-(5-bromo-3-pyridinyl)-3-sulfanylbenzamide?
The InChIKey is NQLOWJBQKVQKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2OS/c13-9-5-10(7-14-6-9)15-12(16)8-2-1-3-11(17)4-8/h1-7,17H,(H,15,16).
What are the key properties of N-(5-bromo-3-pyridinyl)-3-sulfanylbenzamide?
N-(5-bromo-3-pyridinyl)-3-sulfanylbenzamide has a molecular weight of 309.19 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-pyridinyl)-3-sulfanylbenzamide is sourced from PubChem (CID 114222934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).