5-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-nitrothiophene-2-sulfonamide

C8H8N4O5S2 — CID 80746501

IUPAC5-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-nitrothiophene-2-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(N)s2)no1
InChIInChI=1S/C8H8N4O5S2/c1-4-2-6(10-17-4)11-19(15,16)7-3-5(12(13)14)8(9)18-7/h2-3H,9H2,1H3,(H,10,11)
InChIKeyCPKSEGNQILGGDR-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.34
Rot. Bonds4

About 5-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-nitrothiophene-2-sulfonamide

5-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-nitrothiophene-2-sulfonamide (PubChem CID 80746501) has the molecular formula C8H8N4O5S2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 5-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-nitrothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-nitrothiophene-2-sulfonamide
PubChem CID80746501
Molecular FormulaC8H8N4O5S2
Molecular Weight304.31 g/mol
Exact Mass303.99
IUPAC Name5-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-nitrothiophene-2-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(N)s2)no1
InChIInChI=1S/C8H8N4O5S2/c1-4-2-6(10-17-4)11-19(15,16)7-3-5(12(13)14)8(9)18-7/h2-3H,9H2,1H3,(H,10,11)
InChIKeyCPKSEGNQILGGDR-UHFFFAOYSA-N
XLogP1.34
TPSA141.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.34
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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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-nitrothiophene-2-sulfonamide?
The IUPAC name of 5-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-nitrothiophene-2-sulfonamide (CID 80746501) is 5-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-nitrothiophene-2-sulfonamide.
What is the SMILES notation for 5-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-nitrothiophene-2-sulfonamide?
The canonical SMILES for 5-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-nitrothiophene-2-sulfonamide is Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(N)s2)no1.
What is the InChIKey of 5-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-nitrothiophene-2-sulfonamide?
The InChIKey is CPKSEGNQILGGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O5S2/c1-4-2-6(10-17-4)11-19(15,16)7-3-5(12(13)14)8(9)18-7/h2-3H,9H2,1H3,(H,10,11).
What are the key properties of 5-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-nitrothiophene-2-sulfonamide?
5-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-nitrothiophene-2-sulfonamide has a molecular weight of 304.31 g/mol, XLogP of 1.34, 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-methyl-1,2-oxazol-3-yl)-4-nitrothiophene-2-sulfonamide is sourced from PubChem (CID 80746501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).