N'-(benzenesulfonyl)-3-nitrobenzenesulfonohydrazide

C12H11N3O6S2 — CID 100974954

IUPACN'-(benzenesulfonyl)-3-nitrobenzenesulfonohydrazide
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)NNS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C12H11N3O6S2/c16-15(17)10-5-4-8-12(9-10)23(20,21)14-13-22(18,19)11-6-2-1-3-7-11/h1-9,13-14H
InChIKeyBFUJHLNSVZZEHD-UHFFFAOYSA-N
MW357.37 g/mol
LogP0.77
Rot. Bonds6

About N'-(benzenesulfonyl)-3-nitrobenzenesulfonohydrazide

N'-(benzenesulfonyl)-3-nitrobenzenesulfonohydrazide (PubChem CID 100974954) has the molecular formula C12H11N3O6S2 and a molecular weight of 357.37 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-3-nitrobenzenesulfonohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-3-nitrobenzenesulfonohydrazide
PubChem CID100974954
Molecular FormulaC12H11N3O6S2
Molecular Weight357.37 g/mol
Exact Mass357.01
IUPAC NameN'-(benzenesulfonyl)-3-nitrobenzenesulfonohydrazide
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)NNS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C12H11N3O6S2/c16-15(17)10-5-4-8-12(9-10)23(20,21)14-13-22(18,19)11-6-2-1-3-7-11/h1-9,13-14H
InChIKeyBFUJHLNSVZZEHD-UHFFFAOYSA-N
XLogP0.77
TPSA135.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-3-nitrobenzenesulfonohydrazide
CID 67127032
silver 3-nitrobenzenesulfonate
CID 139842266
3-nitro-N-pyridin-1-ium-1-ylbenzenesulfonamide
CID 135121721
N-[tert-butyl(diphenyl)silyl]-3-nitrobenzenesulfonamide
CID 163394106
3-nitrobenzenesulfonic acid
CID 7387
N-[4-[(3-nitrophenyl)sulfonylamino]phenyl]sulfonylbenzamide
CID 22772942
N-(1,3-diphenylpropan-2-ylideneamino)-3-nitrobenzenesulfonamide
CID 167929946
3-nitro-N-(2-phenylsulfanylethyl)benzenesulfonamide
CID 2966893
2-[(3-nitrophenyl)sulfonylamino]propanoic acid
CID 16785952
(2S)-2-[(3-nitrophenyl)sulfonylamino]propanoic acid
CID 30080051
N-(2-hydroxy-2-methylpropyl)-3-nitrobenzenesulfonamide
CID 65112756
N-(3-nitrophenyl)sulfonylpyridine-2-carboxamide
CID 167827408

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-3-nitrobenzenesulfonohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-3-nitrobenzenesulfonohydrazide (CID 100974954) is N'-(benzenesulfonyl)-3-nitrobenzenesulfonohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-3-nitrobenzenesulfonohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-3-nitrobenzenesulfonohydrazide is O=[N+]([O-])c1cccc(S(=O)(=O)NNS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N'-(benzenesulfonyl)-3-nitrobenzenesulfonohydrazide?
The InChIKey is BFUJHLNSVZZEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O6S2/c16-15(17)10-5-4-8-12(9-10)23(20,21)14-13-22(18,19)11-6-2-1-3-7-11/h1-9,13-14H.
What are the key properties of N'-(benzenesulfonyl)-3-nitrobenzenesulfonohydrazide?
N'-(benzenesulfonyl)-3-nitrobenzenesulfonohydrazide has a molecular weight of 357.37 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-3-nitrobenzenesulfonohydrazide is sourced from PubChem (CID 100974954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).