N-(benzenesulfonyl)-4-nitrobenzohydrazide

C13H11N3O5S — CID 53437534

IUPACN-(benzenesulfonyl)-4-nitrobenzohydrazide
SMILESNN(C(=O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H11N3O5S/c14-15(22(20,21)12-4-2-1-3-5-12)13(17)10-6-8-11(9-7-10)16(18)19/h1-9H,14H2
InChIKeyAXAUJJRZTNQYMJ-UHFFFAOYSA-N
MW321.31 g/mol
LogP1.30
Rot. Bonds4

About N-(benzenesulfonyl)-4-nitrobenzohydrazide

N-(benzenesulfonyl)-4-nitrobenzohydrazide (PubChem CID 53437534) has the molecular formula C13H11N3O5S and a molecular weight of 321.31 g/mol. Its IUPAC name is N-(benzenesulfonyl)-4-nitrobenzohydrazide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-4-nitrobenzohydrazide
PubChem CID53437534
Molecular FormulaC13H11N3O5S
Molecular Weight321.31 g/mol
Exact Mass321.04
IUPAC NameN-(benzenesulfonyl)-4-nitrobenzohydrazide
SMILESNN(C(=O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H11N3O5S/c14-15(22(20,21)12-4-2-1-3-5-12)13(17)10-6-8-11(9-7-10)16(18)19/h1-9H,14H2
InChIKeyAXAUJJRZTNQYMJ-UHFFFAOYSA-N
XLogP1.30
TPSA123.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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

N-(benzenesulfonyl)-3-nitrobenzohydrazide
CID 53437533
N-(benzenesulfonyl)-N-(4-ethylphenyl)-4-nitrobenzamide
CID 19210767
N-methyl-N-(4-methylphenyl)sulfonyl-4-nitrobenzamide
CID 138964828
N-(2-hydrazinyl-2-oxoethyl)-N-(4-nitrophenyl)benzenesulfonamide
CID 91671587
benzenesulfonyl 4-nitrobenzoate
CID 11197556
benzamide;4-nitrobenzenesulfonic acid
CID 131869489
hydrazine;(4-nitrophenyl)-phenylmethanone;hydrochloride
CID 172745216
tert-butyl-(4-nitrophenyl)sulfonylcarbamic acid
CID 130408898
N-(benzenesulfonyl)-3-nitro-N-phenylbenzamide
CID 19211365
[4-[methyl(phenyl)sulfamoyl]phenyl] 4-nitrobenzoate
CID 139645113
carbamic acid;nitrobenzene
CID 66874578
nitrobenzene;sulfamide
CID 19382092

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-4-nitrobenzohydrazide?
The IUPAC name of N-(benzenesulfonyl)-4-nitrobenzohydrazide (CID 53437534) is N-(benzenesulfonyl)-4-nitrobenzohydrazide.
What is the SMILES notation for N-(benzenesulfonyl)-4-nitrobenzohydrazide?
The canonical SMILES for N-(benzenesulfonyl)-4-nitrobenzohydrazide is NN(C(=O)c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-4-nitrobenzohydrazide?
The InChIKey is AXAUJJRZTNQYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O5S/c14-15(22(20,21)12-4-2-1-3-5-12)13(17)10-6-8-11(9-7-10)16(18)19/h1-9H,14H2.
What are the key properties of N-(benzenesulfonyl)-4-nitrobenzohydrazide?
N-(benzenesulfonyl)-4-nitrobenzohydrazide has a molecular weight of 321.31 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-4-nitrobenzohydrazide is sourced from PubChem (CID 53437534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).