5-(methylamino)-4-nitro-N-pyridin-3-ylthiophene-2-sulfonamide

C10H10N4O4S2 — CID 80747191

IUPAC5-(methylamino)-4-nitro-N-pyridin-3-ylthiophene-2-sulfonamide
SMILESCNc1sc(S(=O)(=O)Nc2cccnc2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H10N4O4S2/c1-11-10-8(14(15)16)5-9(19-10)20(17,18)13-7-3-2-4-12-6-7/h2-6,11,13H,1H3
InChIKeyOSVHXMIMHGUSLI-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.89
Rot. Bonds5

About 5-(methylamino)-4-nitro-N-pyridin-3-ylthiophene-2-sulfonamide

5-(methylamino)-4-nitro-N-pyridin-3-ylthiophene-2-sulfonamide (PubChem CID 80747191) has the molecular formula C10H10N4O4S2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 5-(methylamino)-4-nitro-N-pyridin-3-ylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(methylamino)-4-nitro-N-pyridin-3-ylthiophene-2-sulfonamide
PubChem CID80747191
Molecular FormulaC10H10N4O4S2
Molecular Weight314.35 g/mol
Exact Mass314.01
IUPAC Name5-(methylamino)-4-nitro-N-pyridin-3-ylthiophene-2-sulfonamide
SMILESCNc1sc(S(=O)(=O)Nc2cccnc2)cc1[N+](=O)[O-]
InChIInChI=1S/C10H10N4O4S2/c1-11-10-8(14(15)16)5-9(19-10)20(17,18)13-7-3-2-4-12-6-7/h2-6,11,13H,1H3
InChIKeyOSVHXMIMHGUSLI-UHFFFAOYSA-N
XLogP1.89
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(1-ethylpyrazol-4-yl)-5-(methylamino)-4-nitrothiophene-2-sulfonamide
CID 80731051
4-hydroxy-3-nitro-N-pyridin-3-ylbenzenesulfonamide
CID 43217817
5-(ethylamino)-4-nitro-N-phenylthiophene-2-sulfonamide
CID 80744740
2-(methylamino)-5-nitro-N-pyridin-3-ylbenzenesulfonamide
CID 62150398
5-hydrazinyl-N-(3-methylphenyl)-4-nitrothiophene-2-sulfonamide
CID 80735593
5-hydrazinyl-N-(2-methyl-4-pyridinyl)-4-nitrothiophene-2-sulfonamide
CID 80745589
N-[2-(methanesulfonamido)ethyl]-5-(methylamino)-4-nitrothiophene-2-sulfonamide
CID 80731405
N-[2-(furan-2-yl)ethyl]-5-(methylamino)-4-nitrothiophene-2-sulfonamide
CID 80731327
5-(methylamino)-N-[(3-methylthiophen-2-yl)methyl]-4-nitrothiophene-2-sulfonamide
CID 80727859
5-(methylamino)-4-nitro-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
CID 80747707
5-(methylamino)-4-nitro-N-pentan-2-ylthiophene-2-sulfonamide
CID 80746992
2-chloro-N-(2-nitrophenyl)-5-(pyridin-3-ylsulfamoyl)benzamide
CID 25040314

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-4-nitro-N-pyridin-3-ylthiophene-2-sulfonamide?
The IUPAC name of 5-(methylamino)-4-nitro-N-pyridin-3-ylthiophene-2-sulfonamide (CID 80747191) is 5-(methylamino)-4-nitro-N-pyridin-3-ylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(methylamino)-4-nitro-N-pyridin-3-ylthiophene-2-sulfonamide?
The canonical SMILES for 5-(methylamino)-4-nitro-N-pyridin-3-ylthiophene-2-sulfonamide is CNc1sc(S(=O)(=O)Nc2cccnc2)cc1[N+](=O)[O-].
What is the InChIKey of 5-(methylamino)-4-nitro-N-pyridin-3-ylthiophene-2-sulfonamide?
The InChIKey is OSVHXMIMHGUSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4S2/c1-11-10-8(14(15)16)5-9(19-10)20(17,18)13-7-3-2-4-12-6-7/h2-6,11,13H,1H3.
What are the key properties of 5-(methylamino)-4-nitro-N-pyridin-3-ylthiophene-2-sulfonamide?
5-(methylamino)-4-nitro-N-pyridin-3-ylthiophene-2-sulfonamide has a molecular weight of 314.35 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-4-nitro-N-pyridin-3-ylthiophene-2-sulfonamide is sourced from PubChem (CID 80747191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).