5-hydrazinyl-N-(2-methyl-4-pyridinyl)-4-nitrothiophene-2-sulfonamide

C10H11N5O4S2 — CID 80745589

IUPAC5-hydrazinyl-N-(2-methyl-4-pyridinyl)-4-nitrothiophene-2-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(NN)s2)ccn1
InChIInChI=1S/C10H11N5O4S2/c1-6-4-7(2-3-12-6)14-21(18,19)9-5-8(15(16)17)10(13-11)20-9/h2-5,13H,11H2,1H3,(H,12,14)
InChIKeyGUKWWVDHFATXIO-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.45
Rot. Bonds5

About 5-hydrazinyl-N-(2-methyl-4-pyridinyl)-4-nitrothiophene-2-sulfonamide

5-hydrazinyl-N-(2-methyl-4-pyridinyl)-4-nitrothiophene-2-sulfonamide (PubChem CID 80745589) has the molecular formula C10H11N5O4S2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 5-hydrazinyl-N-(2-methyl-4-pyridinyl)-4-nitrothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-hydrazinyl-N-(2-methyl-4-pyridinyl)-4-nitrothiophene-2-sulfonamide
PubChem CID80745589
Molecular FormulaC10H11N5O4S2
Molecular Weight329.36 g/mol
Exact Mass329.03
IUPAC Name5-hydrazinyl-N-(2-methyl-4-pyridinyl)-4-nitrothiophene-2-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(NN)s2)ccn1
InChIInChI=1S/C10H11N5O4S2/c1-6-4-7(2-3-12-6)14-21(18,19)9-5-8(15(16)17)10(13-11)20-9/h2-5,13H,11H2,1H3,(H,12,14)
InChIKeyGUKWWVDHFATXIO-UHFFFAOYSA-N
XLogP1.45
TPSA140.25 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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'}

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Related Compounds

5-hydrazinyl-N-(3-methylphenyl)-4-nitrothiophene-2-sulfonamide
CID 80735593
N-(5-bromopyrazin-2-yl)-5-hydrazinyl-4-nitrothiophene-2-sulfonamide
CID 80745979
5-(methylamino)-4-nitro-N-pyridin-3-ylthiophene-2-sulfonamide
CID 80747191
5-hydrazinyl-N-(3-methylbutan-2-yl)-4-nitrothiophene-2-sulfonamide
CID 80741993
5-(aminomethyl)-N-(2-methyl-4-pyridinyl)thiophene-2-sulfonamide
CID 79240386
2-hydrazinyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 79240880
N-(2-methyl-4-pyridinyl)-3-nitrobenzenesulfonamide
CID 110756916
5-(ethylamino)-4-nitro-N-phenylthiophene-2-sulfonamide
CID 80744740
5-hydrazinyl-4-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 80744778
2-hydrazinyl-N-(2-methyl-4-pyridinyl)pyrimidine-5-sulfonamide
CID 79241040
5-hydrazinyl-4-nitro-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 80742192
2-[(5-hydrazinyl-4-nitrothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 80735155

Frequently Asked Questions

What is the IUPAC name of 5-hydrazinyl-N-(2-methyl-4-pyridinyl)-4-nitrothiophene-2-sulfonamide?
The IUPAC name of 5-hydrazinyl-N-(2-methyl-4-pyridinyl)-4-nitrothiophene-2-sulfonamide (CID 80745589) is 5-hydrazinyl-N-(2-methyl-4-pyridinyl)-4-nitrothiophene-2-sulfonamide.
What is the SMILES notation for 5-hydrazinyl-N-(2-methyl-4-pyridinyl)-4-nitrothiophene-2-sulfonamide?
The canonical SMILES for 5-hydrazinyl-N-(2-methyl-4-pyridinyl)-4-nitrothiophene-2-sulfonamide is Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(NN)s2)ccn1.
What is the InChIKey of 5-hydrazinyl-N-(2-methyl-4-pyridinyl)-4-nitrothiophene-2-sulfonamide?
The InChIKey is GUKWWVDHFATXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O4S2/c1-6-4-7(2-3-12-6)14-21(18,19)9-5-8(15(16)17)10(13-11)20-9/h2-5,13H,11H2,1H3,(H,12,14).
What are the key properties of 5-hydrazinyl-N-(2-methyl-4-pyridinyl)-4-nitrothiophene-2-sulfonamide?
5-hydrazinyl-N-(2-methyl-4-pyridinyl)-4-nitrothiophene-2-sulfonamide has a molecular weight of 329.36 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-N-(2-methyl-4-pyridinyl)-4-nitrothiophene-2-sulfonamide is sourced from PubChem (CID 80745589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).