4-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide

C10H11N5O4S2 — CID 43325334

IUPAC4-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide
SMILESCc1cnc(NS(=O)(=O)c2ccc(NN)cc2[N+](=O)[O-])s1
InChIInChI=1S/C10H11N5O4S2/c1-6-5-12-10(20-6)14-21(18,19)9-3-2-7(13-11)4-8(9)15(16)17/h2-5,13H,11H2,1H3,(H,12,14)
InChIKeyIBYXTPYRCZTSDV-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.45
Rot. Bonds5

About 4-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide

4-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide (PubChem CID 43325334) has the molecular formula C10H11N5O4S2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 4-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide
PubChem CID43325334
Molecular FormulaC10H11N5O4S2
Molecular Weight329.36 g/mol
Exact Mass329.03
IUPAC Name4-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide
SMILESCc1cnc(NS(=O)(=O)c2ccc(NN)cc2[N+](=O)[O-])s1
InChIInChI=1S/C10H11N5O4S2/c1-6-5-12-10(20-6)14-21(18,19)9-3-2-7(13-11)4-8(9)15(16)17/h2-5,13H,11H2,1H3,(H,12,14)
InChIKeyIBYXTPYRCZTSDV-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

4-fluoro-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-nitrobenzenesulfonamide
CID 115421813
4-amino-2-chloro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 29294416
2-amino-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 28548844
5-hydrazinyl-2-nitro-N-pyrimidin-2-ylbenzenesulfonamide
CID 60989700
N-(2,3-dimethylbutyl)-4-hydrazinyl-2-nitrobenzenesulfonamide
CID 64598177
4-(ethylamino)-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 62162452
2-[(4-hydrazinyl-2-nitrophenyl)sulfonylamino]acetamide
CID 43545770
5-amino-N-(5-bromo-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide
CID 62146498
5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzenesulfonamide
CID 60989473
4-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide
CID 63004068
6-amino-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 62145030
N-(2,4-dimethylphenyl)-5-hydrazinyl-2-nitrobenzenesulfonamide
CID 4104774

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide?
The IUPAC name of 4-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide (CID 43325334) is 4-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide.
What is the SMILES notation for 4-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide?
The canonical SMILES for 4-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide is Cc1cnc(NS(=O)(=O)c2ccc(NN)cc2[N+](=O)[O-])s1.
What is the InChIKey of 4-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide?
The InChIKey is IBYXTPYRCZTSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O4S2/c1-6-5-12-10(20-6)14-21(18,19)9-3-2-7(13-11)4-8(9)15(16)17/h2-5,13H,11H2,1H3,(H,12,14).
What are the key properties of 4-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide?
4-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide 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 4-hydrazinyl-N-(5-methyl-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide is sourced from PubChem (CID 43325334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).