3-hydrazinyl-N',N'-dimethyl-2-nitrobenzenesulfonohydrazide

C8H13N5O4S — CID 112675174

IUPAC3-hydrazinyl-N',N'-dimethyl-2-nitrobenzenesulfonohydrazide
SMILESCN(C)NS(=O)(=O)c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C8H13N5O4S/c1-12(2)11-18(16,17)7-5-3-4-6(10-9)8(7)13(14)15/h3-5,10-11H,9H2,1-2H3
InChIKeyNOFKQQIIDBJXRN-UHFFFAOYSA-N
MW275.29 g/mol
LogP-0.36
Rot. Bonds5

About 3-hydrazinyl-N',N'-dimethyl-2-nitrobenzenesulfonohydrazide

3-hydrazinyl-N',N'-dimethyl-2-nitrobenzenesulfonohydrazide (PubChem CID 112675174) has the molecular formula C8H13N5O4S and a molecular weight of 275.29 g/mol. Its IUPAC name is 3-hydrazinyl-N',N'-dimethyl-2-nitrobenzenesulfonohydrazide.

Molecular Properties

Compound Name3-hydrazinyl-N',N'-dimethyl-2-nitrobenzenesulfonohydrazide
PubChem CID112675174
Molecular FormulaC8H13N5O4S
Molecular Weight275.29 g/mol
Exact Mass275.07
IUPAC Name3-hydrazinyl-N',N'-dimethyl-2-nitrobenzenesulfonohydrazide
SMILESCN(C)NS(=O)(=O)c1cccc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C8H13N5O4S/c1-12(2)11-18(16,17)7-5-3-4-6(10-9)8(7)13(14)15/h3-5,10-11H,9H2,1-2H3
InChIKeyNOFKQQIIDBJXRN-UHFFFAOYSA-N
XLogP-0.36
TPSA130.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 5-0.36
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

3-hydrazinyl-N-(2-methylpyrazol-3-yl)-2-nitrobenzenesulfonamide
CID 115992869
N-(cyclopropylmethyl)-3-hydrazinyl-N-methyl-2-nitrobenzenesulfonamide
CID 115992755
3-hydrazinyl-N-(4-methylpentyl)-2-nitrobenzenesulfonamide
CID 115992956
N-ethyl-3-hydrazinyl-2-nitro-N-propylbenzenesulfonamide
CID 115992675
3-hydrazinyl-N-(2-methylcyclopentyl)-2-nitrobenzenesulfonamide
CID 115992966
[2-nitro-3-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]hydrazine
CID 115992827
(3-methoxy-2-nitrophenyl)hydrazine
CID 80909118
N-methyl-3-methylsulfonyl-2-nitroaniline
CID 71377132
N-(3-hydrazinyl-2-nitrophenyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 80899786
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydrazinyl-2-nitroaniline
CID 83118794
N'-cyclopropyl-N-(3-hydrazinyl-2-nitrophenyl)-N'-methylethane-1,2-diamine
CID 80919667
N-ethyl-N-methyl-3-(methylamino)-2-nitrobenzenesulfonamide
CID 112675307

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-N',N'-dimethyl-2-nitrobenzenesulfonohydrazide?
The IUPAC name of 3-hydrazinyl-N',N'-dimethyl-2-nitrobenzenesulfonohydrazide (CID 112675174) is 3-hydrazinyl-N',N'-dimethyl-2-nitrobenzenesulfonohydrazide.
What is the SMILES notation for 3-hydrazinyl-N',N'-dimethyl-2-nitrobenzenesulfonohydrazide?
The canonical SMILES for 3-hydrazinyl-N',N'-dimethyl-2-nitrobenzenesulfonohydrazide is CN(C)NS(=O)(=O)c1cccc(NN)c1[N+](=O)[O-].
What is the InChIKey of 3-hydrazinyl-N',N'-dimethyl-2-nitrobenzenesulfonohydrazide?
The InChIKey is NOFKQQIIDBJXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O4S/c1-12(2)11-18(16,17)7-5-3-4-6(10-9)8(7)13(14)15/h3-5,10-11H,9H2,1-2H3.
What are the key properties of 3-hydrazinyl-N',N'-dimethyl-2-nitrobenzenesulfonohydrazide?
3-hydrazinyl-N',N'-dimethyl-2-nitrobenzenesulfonohydrazide has a molecular weight of 275.29 g/mol, XLogP of -0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-N',N'-dimethyl-2-nitrobenzenesulfonohydrazide is sourced from PubChem (CID 112675174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).