5-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-nitrobenzenesulfonamide

C11H18N4O5S — CID 79379501

IUPAC5-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-nitrobenzenesulfonamide
SMILESCN(CC(C)(C)O)S(=O)(=O)c1cc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H18N4O5S/c1-11(2,16)7-14(3)21(19,20)10-6-8(13-12)4-5-9(10)15(17)18/h4-6,13,16H,7,12H2,1-3H3
InChIKeyNDJKIWPGHMWWQO-UHFFFAOYSA-N
MW318.36 g/mol
LogP0.27
Rot. Bonds6

About 5-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-nitrobenzenesulfonamide

5-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-nitrobenzenesulfonamide (PubChem CID 79379501) has the molecular formula C11H18N4O5S and a molecular weight of 318.36 g/mol. Its IUPAC name is 5-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-nitrobenzenesulfonamide.

Molecular Properties

Compound Name5-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-nitrobenzenesulfonamide
PubChem CID79379501
Molecular FormulaC11H18N4O5S
Molecular Weight318.36 g/mol
Exact Mass318.10
IUPAC Name5-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-nitrobenzenesulfonamide
SMILESCN(CC(C)(C)O)S(=O)(=O)c1cc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H18N4O5S/c1-11(2,16)7-14(3)21(19,20)10-6-8(13-12)4-5-9(10)15(17)18/h4-6,13,16H,7,12H2,1-3H3
InChIKeyNDJKIWPGHMWWQO-UHFFFAOYSA-N
XLogP0.27
TPSA138.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 50.27
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

N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(methylamino)-4-nitrobenzenesulfonamide
CID 82847270
N-ethyl-5-hydrazinyl-2-nitrobenzenesulfonamide
CID 60988898
N-ethyl-N-methyl-2-nitro-5-(propylamino)benzenesulfonamide
CID 62142898
N-[3-(dimethylamino)propyl]-5-hydrazinyl-2-nitrobenzenesulfonamide
CID 60989360
N-cyclopropyl-5-hydrazinyl-2-nitro-N-propylbenzenesulfonamide
CID 60990037
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(methylamino)-2-nitrobenzenesulfonamide
CID 115993732
N-(2,3-dimethylbutyl)-5-hydrazinyl-2-nitrobenzenesulfonamide
CID 64598176
5-hydrazinyl-2-nitro-N-pyrimidin-2-ylbenzenesulfonamide
CID 60989700
5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzenesulfonamide
CID 60989473
N-(2,4-dimethylphenyl)-5-hydrazinyl-2-nitrobenzenesulfonamide
CID 4104774
N-butan-2-yl-5-hydrazinyl-N-methyl-2-nitrobenzamide
CID 55051038
3-amino-4-bromo-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 113288382

Frequently Asked Questions

What is the IUPAC name of 5-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-nitrobenzenesulfonamide?
The IUPAC name of 5-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-nitrobenzenesulfonamide (CID 79379501) is 5-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-nitrobenzenesulfonamide.
What is the SMILES notation for 5-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-nitrobenzenesulfonamide?
The canonical SMILES for 5-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-nitrobenzenesulfonamide is CN(CC(C)(C)O)S(=O)(=O)c1cc(NN)ccc1[N+](=O)[O-].
What is the InChIKey of 5-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-nitrobenzenesulfonamide?
The InChIKey is NDJKIWPGHMWWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O5S/c1-11(2,16)7-14(3)21(19,20)10-6-8(13-12)4-5-9(10)15(17)18/h4-6,13,16H,7,12H2,1-3H3.
What are the key properties of 5-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-nitrobenzenesulfonamide?
5-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-nitrobenzenesulfonamide has a molecular weight of 318.36 g/mol, XLogP of 0.27, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-nitrobenzenesulfonamide is sourced from PubChem (CID 79379501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).