4-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzenesulfonamide

C12H20N4O4S — CID 106330104

IUPAC4-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzenesulfonamide
SMILESCCC(C)(CC)NS(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C12H20N4O4S/c1-4-12(3,5-2)15-21(19,20)9-6-7-10(14-13)11(8-9)16(17)18/h6-8,14-15H,4-5,13H2,1-3H3
InChIKeyPQUFUSNIDZAVDO-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.74
Rot. Bonds7

About 4-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzenesulfonamide

4-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzenesulfonamide (PubChem CID 106330104) has the molecular formula C12H20N4O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is 4-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzenesulfonamide
PubChem CID106330104
Molecular FormulaC12H20N4O4S
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC Name4-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzenesulfonamide
SMILESCCC(C)(CC)NS(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1
InChIInChI=1S/C12H20N4O4S/c1-4-12(3,5-2)15-21(19,20)9-6-7-10(14-13)11(8-9)16(17)18/h6-8,14-15H,4-5,13H2,1-3H3
InChIKeyPQUFUSNIDZAVDO-UHFFFAOYSA-N
XLogP1.74
TPSA127.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.74
H-Bond Donors ≤ 53
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

N-butan-2-yl-4-hydrazinyl-3-nitrobenzenesulfonamide
CID 43142187
N-butyl-4-hydrazinyl-3-nitrobenzenesulfonamide
CID 43142157
(4-methylsulfonyl-2-nitrophenyl)hydrazine
CID 3986701
N-[2-(dimethylamino)ethyl]-4-hydrazinyl-3-nitrobenzenesulfonamide
CID 43142198
4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)-3-nitrobenzenesulfonamide
CID 106170126
4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)-3-nitrobenzenesulfonamide
CID 106169656
N-(3-methylpentan-3-yl)-2-nitrobenzenesulfonamide
CID 56805607
4-[(2-amino-2-methylpropyl)amino]-N-methyl-3-nitrobenzenesulfonamide
CID 78954490
4-hydrazinyl-N-(3-methylcyclobutyl)-3-nitrobenzenesulfonamide
CID 113467300
4-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-3-nitrobenzenesulfonamide
CID 63959621
4-(benzylamino)-N-tert-butyl-3-nitrobenzenesulfonamide
CID 9186791
4-hydrazinyl-N-(4-methoxybutan-2-yl)-3-nitrobenzenesulfonamide
CID 64605293

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzenesulfonamide?
The IUPAC name of 4-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzenesulfonamide (CID 106330104) is 4-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzenesulfonamide.
What is the SMILES notation for 4-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzenesulfonamide?
The canonical SMILES for 4-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzenesulfonamide is CCC(C)(CC)NS(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1.
What is the InChIKey of 4-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzenesulfonamide?
The InChIKey is PQUFUSNIDZAVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4S/c1-4-12(3,5-2)15-21(19,20)9-6-7-10(14-13)11(8-9)16(17)18/h6-8,14-15H,4-5,13H2,1-3H3.
What are the key properties of 4-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzenesulfonamide?
4-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzenesulfonamide has a molecular weight of 316.38 g/mol, XLogP of 1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-(3-methylpentan-3-yl)-3-nitrobenzenesulfonamide is sourced from PubChem (CID 106330104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).