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

C8H6BrN5O4S2 — CID 80747323

IUPAC5-amino-N-(5-bromopyrazin-2-yl)-4-nitrothiophene-2-sulfonamide
SMILESNc1sc(S(=O)(=O)Nc2cnc(Br)cn2)cc1[N+](=O)[O-]
InChIInChI=1S/C8H6BrN5O4S2/c9-5-2-12-6(3-11-5)13-20(17,18)7-1-4(14(15)16)8(10)19-7/h1-3H,10H2,(H,12,13)
InChIKeyMDHOOJLJLGKENW-UHFFFAOYSA-N
MW380.21 g/mol
LogP1.59
Rot. Bonds4

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

5-amino-N-(5-bromopyrazin-2-yl)-4-nitrothiophene-2-sulfonamide (PubChem CID 80747323) has the molecular formula C8H6BrN5O4S2 and a molecular weight of 380.21 g/mol. Its IUPAC name is 5-amino-N-(5-bromopyrazin-2-yl)-4-nitrothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(5-bromopyrazin-2-yl)-4-nitrothiophene-2-sulfonamide
PubChem CID80747323
Molecular FormulaC8H6BrN5O4S2
Molecular Weight380.21 g/mol
Exact Mass378.90
IUPAC Name5-amino-N-(5-bromopyrazin-2-yl)-4-nitrothiophene-2-sulfonamide
SMILESNc1sc(S(=O)(=O)Nc2cnc(Br)cn2)cc1[N+](=O)[O-]
InChIInChI=1S/C8H6BrN5O4S2/c9-5-2-12-6(3-11-5)13-20(17,18)7-1-4(14(15)16)8(10)19-7/h1-3H,10H2,(H,12,13)
InChIKeyMDHOOJLJLGKENW-UHFFFAOYSA-N
XLogP1.59
TPSA141.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.21
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromopyrazin-2-yl)-5-hydrazinyl-4-nitrothiophene-2-sulfonamide
CID 80745979
5-amino-4-nitro-N-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
CID 80746819
5-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-nitrothiophene-2-sulfonamide
CID 80746501
5-amino-N',N'-dimethyl-4-nitrothiophene-2-sulfonohydrazide
CID 83023425
5-amino-N-(3,5-difluorophenyl)-4-nitrothiophene-2-sulfonamide
CID 80744953
5-amino-N-(4-bromo-3-chlorophenyl)-4-nitrothiophene-2-sulfonamide
CID 107616503
5-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-nitrothiophene-2-sulfonamide
CID 114389272
5-amino-N-(3-fluoro-5-methylphenyl)-4-nitrothiophene-2-sulfonamide
CID 80727272
5-amino-N-(3-fluoro-4-pyridinyl)-4-nitrothiophene-2-sulfonamide
CID 107595435
5-amino-4-nitro-N-thiophen-3-ylthiophene-2-sulfonamide
CID 80746827
5-amino-N-ethyl-4-nitrothiophene-2-sulfonamide
CID 80747001
N-(6-bromo-2-pyridinyl)-5-chloro-4-nitrothiophene-2-sulfonamide
CID 80742323

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5-bromopyrazin-2-yl)-4-nitrothiophene-2-sulfonamide?
The IUPAC name of 5-amino-N-(5-bromopyrazin-2-yl)-4-nitrothiophene-2-sulfonamide (CID 80747323) is 5-amino-N-(5-bromopyrazin-2-yl)-4-nitrothiophene-2-sulfonamide.
What is the SMILES notation for 5-amino-N-(5-bromopyrazin-2-yl)-4-nitrothiophene-2-sulfonamide?
The canonical SMILES for 5-amino-N-(5-bromopyrazin-2-yl)-4-nitrothiophene-2-sulfonamide is Nc1sc(S(=O)(=O)Nc2cnc(Br)cn2)cc1[N+](=O)[O-].
What is the InChIKey of 5-amino-N-(5-bromopyrazin-2-yl)-4-nitrothiophene-2-sulfonamide?
The InChIKey is MDHOOJLJLGKENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN5O4S2/c9-5-2-12-6(3-11-5)13-20(17,18)7-1-4(14(15)16)8(10)19-7/h1-3H,10H2,(H,12,13).
What are the key properties of 5-amino-N-(5-bromopyrazin-2-yl)-4-nitrothiophene-2-sulfonamide?
5-amino-N-(5-bromopyrazin-2-yl)-4-nitrothiophene-2-sulfonamide has a molecular weight of 380.21 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(5-bromopyrazin-2-yl)-4-nitrothiophene-2-sulfonamide is sourced from PubChem (CID 80747323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).