3-nitro-4-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide

C10H12N4O5S — CID 2865744

IUPAC3-nitro-4-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide
SMILESNNS(=O)(=O)c1ccc(N2CCCC2=O)c([N+](=O)[O-])c1
InChIInChI=1S/C10H12N4O5S/c11-12-20(18,19)7-3-4-8(9(6-7)14(16)17)13-5-1-2-10(13)15/h3-4,6,12H,1-2,5,11H2
InChIKeyAZUGLFMLLVJEIJ-UHFFFAOYSA-N
MW300.30 g/mol
LogP-0.13
Rot. Bonds4

About 3-nitro-4-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide

3-nitro-4-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide (PubChem CID 2865744) has the molecular formula C10H12N4O5S and a molecular weight of 300.30 g/mol. Its IUPAC name is 3-nitro-4-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide.

Molecular Properties

Compound Name3-nitro-4-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide
PubChem CID2865744
Molecular FormulaC10H12N4O5S
Molecular Weight300.30 g/mol
Exact Mass300.05
IUPAC Name3-nitro-4-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide
SMILESNNS(=O)(=O)c1ccc(N2CCCC2=O)c([N+](=O)[O-])c1
InChIInChI=1S/C10H12N4O5S/c11-12-20(18,19)7-3-4-8(9(6-7)14(16)17)13-5-1-2-10(13)15/h3-4,6,12H,1-2,5,11H2
InChIKeyAZUGLFMLLVJEIJ-UHFFFAOYSA-N
XLogP-0.13
TPSA135.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
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

3-Nitro-4-(2-Oxo-Pyrrolidin-1-Yl)-Benzenesulfonamide
CID 3092847
1-[4-(2-Nitro-4-piperidin-1-ylsulfonylphenyl)piperazin-1-yl]ethanone
CID 4544760
N-methyl-3-nitro-4-pyrrolidin-1-ylbenzenesulfonamide
CID 4780147
1-[2-Nitro-4-(piperidylsulfonyl)phenyl]pyrrolidin-2-one
CID 2829410
3-nitro-4-(2-oxopyrrolidin-1-yl)-N,N-dipropylbenzenesulfonamide
CID 3119447
4-(dimethylamino)-3-nitro-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 24979335
3-nitro-4-(2-oxopyrrolidin-1-yl)-N-propylbenzenesulfonamide
CID 3102036
N-methyl-3-nitro-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 3102038
N,N-dibutyl-3-nitro-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 2829409
4-(4-acetylpiperazin-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]-3-nitrobenzenesulfonamide
CID 4841405
N,N-dimethyl-3-nitro-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 3102039
3,5-Dinitro-4-pyrrolidin-1-ylbenzenesulfonamide
CID 44316974

Frequently Asked Questions

What is the IUPAC name of 3-nitro-4-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide?
The IUPAC name of 3-nitro-4-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide (CID 2865744) is 3-nitro-4-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide.
What is the SMILES notation for 3-nitro-4-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide?
The canonical SMILES for 3-nitro-4-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide is NNS(=O)(=O)c1ccc(N2CCCC2=O)c([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-4-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide?
The InChIKey is AZUGLFMLLVJEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O5S/c11-12-20(18,19)7-3-4-8(9(6-7)14(16)17)13-5-1-2-10(13)15/h3-4,6,12H,1-2,5,11H2.
What are the key properties of 3-nitro-4-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide?
3-nitro-4-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide has a molecular weight of 300.30 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-4-(2-oxopyrrolidin-1-yl)benzenesulfonohydrazide is sourced from PubChem (CID 2865744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).