N-(4-bromophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide

C13H10BrN3O3S — CID 124595289

IUPACN-(4-bromophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide
SMILESO=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccc(Br)cc1
InChIInChI=1S/C13H10BrN3O3S/c14-9-1-3-10(4-2-9)16-12(18)8-21-13-6-5-11(7-15-13)17(19)20/h1-7H,8H2,(H,16,18)
InChIKeyYXORBQMFJOFLEN-UHFFFAOYSA-N
MW368.21 g/mol
LogP3.48
Rot. Bonds5

About N-(4-bromophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide

N-(4-bromophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide (PubChem CID 124595289) has the molecular formula C13H10BrN3O3S and a molecular weight of 368.21 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide
PubChem CID124595289
Molecular FormulaC13H10BrN3O3S
Molecular Weight368.21 g/mol
Exact Mass366.96
IUPAC NameN-(4-bromophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide
SMILESO=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccc(Br)cc1
InChIInChI=1S/C13H10BrN3O3S/c14-9-1-3-10(4-2-9)16-12(18)8-21-13-6-5-11(7-15-13)17(19)20/h1-7H,8H2,(H,16,18)
InChIKeyYXORBQMFJOFLEN-UHFFFAOYSA-N
XLogP3.48
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.21
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-bromophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,5-dichlorophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide
CID 16654172
N-(4-bromophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890242
N-(2-methylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide
CID 124594955
2-[(4-bromophenyl)methylsulfanyl]-5-nitropyridine
CID 4910238
N-(3-methyl-2-pyridinyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide
CID 126184841
N-(4-bromophenyl)-2-[[1-(4-nitrophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide
CID 135718851
N-(2-benzoylphenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide
CID 2949758
N-(4-bromophenyl)-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamide;hydrochloride
CID 163325535
N-[4-[[2-(4-nitrophenyl)sulfanylacetyl]amino]phenyl]propanamide
CID 55788390
N-(4-nitrophenyl)-2-phenylsulfanylacetamide
CID 3879245
6-[[2-[(5-nitro-2-pyridinyl)sulfanyl]acetyl]amino]hexanoic acid
CID 39186293
2-(4-hydroxyphenyl)sulfanyl-N-(4-nitrophenyl)acetamide
CID 61032368

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide (CID 124595289) is N-(4-bromophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide is O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide?
The InChIKey is YXORBQMFJOFLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O3S/c14-9-1-3-10(4-2-9)16-12(18)8-21-13-6-5-11(7-15-13)17(19)20/h1-7H,8H2,(H,16,18).
What are the key properties of N-(4-bromophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide?
N-(4-bromophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide has a molecular weight of 368.21 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[(5-nitro-2-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 124595289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).