4-hydrazinyl-N-(3-methylcyclobutyl)-3-nitrobenzenesulfonamide

C11H16N4O4S — CID 113467300

IUPAC4-hydrazinyl-N-(3-methylcyclobutyl)-3-nitrobenzenesulfonamide
SMILESCC1CC(NS(=O)(=O)c2ccc(NN)c([N+](=O)[O-])c2)C1
InChIInChI=1S/C11H16N4O4S/c1-7-4-8(5-7)14-20(18,19)9-2-3-10(13-12)11(6-9)15(16)17/h2-3,6-8,13-14H,4-5,12H2,1H3
InChIKeyGNXHAXRCPPOCCP-UHFFFAOYSA-N
MW300.34 g/mol
LogP0.96
Rot. Bonds5

About 4-hydrazinyl-N-(3-methylcyclobutyl)-3-nitrobenzenesulfonamide

4-hydrazinyl-N-(3-methylcyclobutyl)-3-nitrobenzenesulfonamide (PubChem CID 113467300) has the molecular formula C11H16N4O4S and a molecular weight of 300.34 g/mol. Its IUPAC name is 4-hydrazinyl-N-(3-methylcyclobutyl)-3-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-hydrazinyl-N-(3-methylcyclobutyl)-3-nitrobenzenesulfonamide
PubChem CID113467300
Molecular FormulaC11H16N4O4S
Molecular Weight300.34 g/mol
Exact Mass300.09
IUPAC Name4-hydrazinyl-N-(3-methylcyclobutyl)-3-nitrobenzenesulfonamide
SMILESCC1CC(NS(=O)(=O)c2ccc(NN)c([N+](=O)[O-])c2)C1
InChIInChI=1S/C11H16N4O4S/c1-7-4-8(5-7)14-20(18,19)9-2-3-10(13-12)11(6-9)15(16)17/h2-3,6-8,13-14H,4-5,12H2,1H3
InChIKeyGNXHAXRCPPOCCP-UHFFFAOYSA-N
XLogP0.96
TPSA127.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-hydrazinyl-N-(2-methyloxolan-3-yl)-3-nitrobenzenesulfonamide
CID 82729356
(4-methylsulfonyl-2-nitrophenyl)hydrazine
CID 3986701
N-[2-(dimethylamino)ethyl]-4-hydrazinyl-3-nitrobenzenesulfonamide
CID 43142198
N-butan-2-yl-4-hydrazinyl-3-nitrobenzenesulfonamide
CID 43142187
N-(3-aminocyclobutyl)-4-chloro-3-nitrobenzenesulfonamide
CID 43597673
4-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzenesulfonamide
CID 106330104
N-butyl-4-hydrazinyl-3-nitrobenzenesulfonamide
CID 43142157
N-[2-[4-[(4-methylcyclohexyl)sulfamoyl]-2-nitroanilino]ethyl]acetamide
CID 9184023
4-hydrazinyl-N-(3-methylcyclopentyl)-2-nitrobenzenesulfonamide
CID 114548119
(2-nitro-4-piperidin-1-ylsulfonylphenyl)hydrazine
CID 16775038
4-(cyclopent-3-en-1-ylamino)-N-methyl-3-nitrobenzenesulfonamide
CID 133362103
3-bromo-N-(2-methylpiperidin-4-yl)-4-nitrobenzenesulfonamide
CID 120586161

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-(3-methylcyclobutyl)-3-nitrobenzenesulfonamide?
The IUPAC name of 4-hydrazinyl-N-(3-methylcyclobutyl)-3-nitrobenzenesulfonamide (CID 113467300) is 4-hydrazinyl-N-(3-methylcyclobutyl)-3-nitrobenzenesulfonamide.
What is the SMILES notation for 4-hydrazinyl-N-(3-methylcyclobutyl)-3-nitrobenzenesulfonamide?
The canonical SMILES for 4-hydrazinyl-N-(3-methylcyclobutyl)-3-nitrobenzenesulfonamide is CC1CC(NS(=O)(=O)c2ccc(NN)c([N+](=O)[O-])c2)C1.
What is the InChIKey of 4-hydrazinyl-N-(3-methylcyclobutyl)-3-nitrobenzenesulfonamide?
The InChIKey is GNXHAXRCPPOCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4S/c1-7-4-8(5-7)14-20(18,19)9-2-3-10(13-12)11(6-9)15(16)17/h2-3,6-8,13-14H,4-5,12H2,1H3.
What are the key properties of 4-hydrazinyl-N-(3-methylcyclobutyl)-3-nitrobenzenesulfonamide?
4-hydrazinyl-N-(3-methylcyclobutyl)-3-nitrobenzenesulfonamide has a molecular weight of 300.34 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-(3-methylcyclobutyl)-3-nitrobenzenesulfonamide is sourced from PubChem (CID 113467300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).