5-hydrazinyl-4-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide

C9H11N5O4S3 — CID 80744778

IUPAC5-hydrazinyl-4-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide
SMILESNNc1sc(S(=O)(=O)NCCc2nccs2)cc1[N+](=O)[O-]
InChIInChI=1S/C9H11N5O4S3/c10-13-9-6(14(15)16)5-8(20-9)21(17,18)12-2-1-7-11-3-4-19-7/h3-5,12-13H,1-2,10H2
InChIKeyMJAJMHWYSOVJGJ-UHFFFAOYSA-N
MW349.42 g/mol
LogP0.92
Rot. Bonds7

About 5-hydrazinyl-4-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide

5-hydrazinyl-4-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 80744778) has the molecular formula C9H11N5O4S3 and a molecular weight of 349.42 g/mol. Its IUPAC name is 5-hydrazinyl-4-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-hydrazinyl-4-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide
PubChem CID80744778
Molecular FormulaC9H11N5O4S3
Molecular Weight349.42 g/mol
Exact Mass349.00
IUPAC Name5-hydrazinyl-4-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide
SMILESNNc1sc(S(=O)(=O)NCCc2nccs2)cc1[N+](=O)[O-]
InChIInChI=1S/C9H11N5O4S3/c10-13-9-6(14(15)16)5-8(20-9)21(17,18)12-2-1-7-11-3-4-19-7/h3-5,12-13H,1-2,10H2
InChIKeyMJAJMHWYSOVJGJ-UHFFFAOYSA-N
XLogP0.92
TPSA140.25 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 50.92
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'}

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Related Compounds

5-bromo-2-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 62196825
5-hydrazinyl-4-nitro-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
CID 80744883
2-[(5-hydrazinyl-4-nitrothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 80735155
5-hydrazinyl-N-(2-methyl-4-pyridinyl)-4-nitrothiophene-2-sulfonamide
CID 80745589
5-(methylamino)-4-nitro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 80727588
3-hydrazinyl-5-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline
CID 80914336
5-amino-4-nitro-N-(2-pyridin-4-ylethyl)thiophene-2-sulfonamide
CID 80730553
5-hydrazinyl-N-(3-methylbutan-2-yl)-4-nitrothiophene-2-sulfonamide
CID 80741993
N-[2-(methanesulfonamido)ethyl]-5-(methylamino)-4-nitrothiophene-2-sulfonamide
CID 80731405
N-(5-bromopyrazin-2-yl)-5-hydrazinyl-4-nitrothiophene-2-sulfonamide
CID 80745979
5-hydrazinyl-4-nitro-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
CID 80741793
5-amino-4-nitro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 80746615

Frequently Asked Questions

What is the IUPAC name of 5-hydrazinyl-4-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-hydrazinyl-4-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide (CID 80744778) is 5-hydrazinyl-4-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-hydrazinyl-4-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-hydrazinyl-4-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide is NNc1sc(S(=O)(=O)NCCc2nccs2)cc1[N+](=O)[O-].
What is the InChIKey of 5-hydrazinyl-4-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is MJAJMHWYSOVJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O4S3/c10-13-9-6(14(15)16)5-8(20-9)21(17,18)12-2-1-7-11-3-4-19-7/h3-5,12-13H,1-2,10H2.
What are the key properties of 5-hydrazinyl-4-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide?
5-hydrazinyl-4-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 349.42 g/mol, XLogP of 0.92, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-4-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 80744778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).