N-(5-bromopyrazin-2-yl)-5-hydrazinyl-4-nitrothiophene-2-sulfonamide

C8H7BrN6O4S2 — CID 80745979

IUPACN-(5-bromopyrazin-2-yl)-5-hydrazinyl-4-nitrothiophene-2-sulfonamide
SMILESNNc1sc(S(=O)(=O)Nc2cnc(Br)cn2)cc1[N+](=O)[O-]
InChIInChI=1S/C8H7BrN6O4S2/c9-5-2-12-6(3-11-5)14-21(18,19)7-1-4(15(16)17)8(13-10)20-7/h1-3,13H,10H2,(H,12,14)
InChIKeyUMRAPPOFHCYAHJ-UHFFFAOYSA-N
MW395.22 g/mol
LogP1.30
Rot. Bonds5

About N-(5-bromopyrazin-2-yl)-5-hydrazinyl-4-nitrothiophene-2-sulfonamide

N-(5-bromopyrazin-2-yl)-5-hydrazinyl-4-nitrothiophene-2-sulfonamide (PubChem CID 80745979) has the molecular formula C8H7BrN6O4S2 and a molecular weight of 395.22 g/mol. Its IUPAC name is N-(5-bromopyrazin-2-yl)-5-hydrazinyl-4-nitrothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(5-bromopyrazin-2-yl)-5-hydrazinyl-4-nitrothiophene-2-sulfonamide
PubChem CID80745979
Molecular FormulaC8H7BrN6O4S2
Molecular Weight395.22 g/mol
Exact Mass393.92
IUPAC NameN-(5-bromopyrazin-2-yl)-5-hydrazinyl-4-nitrothiophene-2-sulfonamide
SMILESNNc1sc(S(=O)(=O)Nc2cnc(Br)cn2)cc1[N+](=O)[O-]
InChIInChI=1S/C8H7BrN6O4S2/c9-5-2-12-6(3-11-5)14-21(18,19)7-1-4(15(16)17)8(13-10)20-7/h1-3,13H,10H2,(H,12,14)
InChIKeyUMRAPPOFHCYAHJ-UHFFFAOYSA-N
XLogP1.30
TPSA153.14 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.22
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-(5-bromopyrazin-2-yl)-5-hydrazinyl-4-nitrothiophene-2-sulfonamide 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

5-amino-N-(5-bromopyrazin-2-yl)-4-nitrothiophene-2-sulfonamide
CID 80747323
5-hydrazinyl-N-(3-methylphenyl)-4-nitrothiophene-2-sulfonamide
CID 80735593
5-hydrazinyl-N-(2-methyl-4-pyridinyl)-4-nitrothiophene-2-sulfonamide
CID 80745589
5-hydrazinyl-N-(3-methylbutan-2-yl)-4-nitrothiophene-2-sulfonamide
CID 80741993
5-hydrazinyl-4-nitro-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 80742192
5-hydrazinyl-4-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 80744778
N-(6-bromo-2-pyridinyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80742323
2-[(5-hydrazinyl-4-nitrothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 80735155
5-hydrazinyl-4-nitro-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
CID 80744883
5-(methylamino)-4-nitro-N-pyridin-3-ylthiophene-2-sulfonamide
CID 80747191
(5-morpholin-4-ylsulfonyl-3-nitrothiophen-2-yl)hydrazine
CID 80742394
5-hydrazinyl-4-nitro-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
CID 80741793

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopyrazin-2-yl)-5-hydrazinyl-4-nitrothiophene-2-sulfonamide?
The IUPAC name of N-(5-bromopyrazin-2-yl)-5-hydrazinyl-4-nitrothiophene-2-sulfonamide (CID 80745979) is N-(5-bromopyrazin-2-yl)-5-hydrazinyl-4-nitrothiophene-2-sulfonamide.
What is the SMILES notation for N-(5-bromopyrazin-2-yl)-5-hydrazinyl-4-nitrothiophene-2-sulfonamide?
The canonical SMILES for N-(5-bromopyrazin-2-yl)-5-hydrazinyl-4-nitrothiophene-2-sulfonamide is NNc1sc(S(=O)(=O)Nc2cnc(Br)cn2)cc1[N+](=O)[O-].
What is the InChIKey of N-(5-bromopyrazin-2-yl)-5-hydrazinyl-4-nitrothiophene-2-sulfonamide?
The InChIKey is UMRAPPOFHCYAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN6O4S2/c9-5-2-12-6(3-11-5)14-21(18,19)7-1-4(15(16)17)8(13-10)20-7/h1-3,13H,10H2,(H,12,14).
What are the key properties of N-(5-bromopyrazin-2-yl)-5-hydrazinyl-4-nitrothiophene-2-sulfonamide?
N-(5-bromopyrazin-2-yl)-5-hydrazinyl-4-nitrothiophene-2-sulfonamide has a molecular weight of 395.22 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopyrazin-2-yl)-5-hydrazinyl-4-nitrothiophene-2-sulfonamide is sourced from PubChem (CID 80745979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).