4-hydrazinyl-N-(2-methyloxolan-3-yl)-3-nitrobenzenesulfonamide

C11H16N4O5S — CID 82729356

IUPAC4-hydrazinyl-N-(2-methyloxolan-3-yl)-3-nitrobenzenesulfonamide
SMILESCC1OCCC1NS(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C11H16N4O5S/c1-7-9(4-5-20-7)14-21(18,19)8-2-3-10(13-12)11(6-8)15(16)17/h2-3,6-7,9,13-14H,4-5,12H2,1H3
InChIKeyHMAFNBMZWURKQI-UHFFFAOYSA-N
MW316.34 g/mol
LogP0.34
Rot. Bonds5

About 4-hydrazinyl-N-(2-methyloxolan-3-yl)-3-nitrobenzenesulfonamide

4-hydrazinyl-N-(2-methyloxolan-3-yl)-3-nitrobenzenesulfonamide (PubChem CID 82729356) has the molecular formula C11H16N4O5S and a molecular weight of 316.34 g/mol. Its IUPAC name is 4-hydrazinyl-N-(2-methyloxolan-3-yl)-3-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-hydrazinyl-N-(2-methyloxolan-3-yl)-3-nitrobenzenesulfonamide
PubChem CID82729356
Molecular FormulaC11H16N4O5S
Molecular Weight316.34 g/mol
Exact Mass316.08
IUPAC Name4-hydrazinyl-N-(2-methyloxolan-3-yl)-3-nitrobenzenesulfonamide
SMILESCC1OCCC1NS(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C11H16N4O5S/c1-7-9(4-5-20-7)14-21(18,19)8-2-3-10(13-12)11(6-8)15(16)17/h2-3,6-7,9,13-14H,4-5,12H2,1H3
InChIKeyHMAFNBMZWURKQI-UHFFFAOYSA-N
XLogP0.34
TPSA136.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-amino-N-(2-methyloxolan-3-yl)-3-nitrobenzenesulfonamide
CID 82729066
3-(methylamino)-N-(2-methyloxolan-3-yl)-4-nitrobenzenesulfonamide
CID 82845654
4-hydrazinyl-N-(3-methylcyclobutyl)-3-nitrobenzenesulfonamide
CID 113467300
5-amino-N-(2-methyloxolan-3-yl)-4-nitrothiophene-2-sulfonamide
CID 82737437
(4-methylsulfonyl-2-nitrophenyl)hydrazine
CID 3986701
4-(1-aminoethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82728733
N-[2-(dimethylamino)ethyl]-4-hydrazinyl-3-nitrobenzenesulfonamide
CID 43142198
N-butan-2-yl-4-hydrazinyl-3-nitrobenzenesulfonamide
CID 43142187
2-[4-[(2-methyloxolan-3-yl)sulfamoyl]phenyl]ethanethioamide
CID 82728260
3-(aminomethyl)-4-methoxy-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 106076121
4-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzenesulfonamide
CID 106330104
N-butyl-4-hydrazinyl-3-nitrobenzenesulfonamide
CID 43142157

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-(2-methyloxolan-3-yl)-3-nitrobenzenesulfonamide?
The IUPAC name of 4-hydrazinyl-N-(2-methyloxolan-3-yl)-3-nitrobenzenesulfonamide (CID 82729356) is 4-hydrazinyl-N-(2-methyloxolan-3-yl)-3-nitrobenzenesulfonamide.
What is the SMILES notation for 4-hydrazinyl-N-(2-methyloxolan-3-yl)-3-nitrobenzenesulfonamide?
The canonical SMILES for 4-hydrazinyl-N-(2-methyloxolan-3-yl)-3-nitrobenzenesulfonamide is CC1OCCC1NS(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1.
What is the InChIKey of 4-hydrazinyl-N-(2-methyloxolan-3-yl)-3-nitrobenzenesulfonamide?
The InChIKey is HMAFNBMZWURKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O5S/c1-7-9(4-5-20-7)14-21(18,19)8-2-3-10(13-12)11(6-8)15(16)17/h2-3,6-7,9,13-14H,4-5,12H2,1H3.
What are the key properties of 4-hydrazinyl-N-(2-methyloxolan-3-yl)-3-nitrobenzenesulfonamide?
4-hydrazinyl-N-(2-methyloxolan-3-yl)-3-nitrobenzenesulfonamide has a molecular weight of 316.34 g/mol, XLogP of 0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-(2-methyloxolan-3-yl)-3-nitrobenzenesulfonamide is sourced from PubChem (CID 82729356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).