2-hydrazinyl-N-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitrobenzenesulfonamide

C12H18N4O4S — CID 63858622

IUPAC2-hydrazinyl-N-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitrobenzenesulfonamide
SMILESCC1CC1CN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN
InChIInChI=1S/C12H18N4O4S/c1-8-5-9(8)7-15(2)21(19,20)12-6-10(16(17)18)3-4-11(12)14-13/h3-4,6,8-9,14H,5,7,13H2,1-2H3
InChIKeyZJXNMLPUGCKZRH-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.16
Rot. Bonds6

About 2-hydrazinyl-N-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitrobenzenesulfonamide

2-hydrazinyl-N-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitrobenzenesulfonamide (PubChem CID 63858622) has the molecular formula C12H18N4O4S and a molecular weight of 314.37 g/mol. Its IUPAC name is 2-hydrazinyl-N-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-hydrazinyl-N-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitrobenzenesulfonamide
PubChem CID63858622
Molecular FormulaC12H18N4O4S
Molecular Weight314.37 g/mol
Exact Mass314.10
IUPAC Name2-hydrazinyl-N-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitrobenzenesulfonamide
SMILESCC1CC1CN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN
InChIInChI=1S/C12H18N4O4S/c1-8-5-9(8)7-15(2)21(19,20)12-6-10(16(17)18)3-4-11(12)14-13/h3-4,6,8-9,14H,5,7,13H2,1-2H3
InChIKeyZJXNMLPUGCKZRH-UHFFFAOYSA-N
XLogP1.16
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.16
H-Bond Donors ≤ 52
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

2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitrobenzenesulfonamide
CID 63866427
N-(2-cyanoethyl)-2-hydrazinyl-N-methyl-5-nitrobenzenesulfonamide
CID 43325252
N-(cyclopropylmethyl)-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 60985425
2-hydrazinyl-N-(2-methoxyethyl)-N-methyl-5-nitrobenzenesulfonamide
CID 61428525
N-(1-cyclopropylethyl)-2-hydrazinyl-N-methyl-5-nitrobenzenesulfonamide
CID 43569509
N-(2,2-dimethylpropyl)-N-methyl-2-(methylamino)-5-nitrobenzenesulfonamide
CID 62153273
2-hydrazinyl-N,N-dimethyl-4-nitrobenzenesulfonamide
CID 43142166
N-[1-(dimethylamino)propan-2-yl]-2-hydrazinyl-5-nitrobenzenesulfonamide
CID 82939806
1-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81465341
N-(cyclopropylmethyl)-2-hydrazinyl-5-nitrobenzenesulfonamide
CID 43325324
2-(ethylamino)-N,N-dimethyl-5-nitrobenzenesulfonamide
CID 62148765
4-amino-3-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 82844261

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitrobenzenesulfonamide?
The IUPAC name of 2-hydrazinyl-N-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitrobenzenesulfonamide (CID 63858622) is 2-hydrazinyl-N-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitrobenzenesulfonamide.
What is the SMILES notation for 2-hydrazinyl-N-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitrobenzenesulfonamide?
The canonical SMILES for 2-hydrazinyl-N-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitrobenzenesulfonamide is CC1CC1CN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN.
What is the InChIKey of 2-hydrazinyl-N-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitrobenzenesulfonamide?
The InChIKey is ZJXNMLPUGCKZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4S/c1-8-5-9(8)7-15(2)21(19,20)12-6-10(16(17)18)3-4-11(12)14-13/h3-4,6,8-9,14H,5,7,13H2,1-2H3.
What are the key properties of 2-hydrazinyl-N-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitrobenzenesulfonamide?
2-hydrazinyl-N-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitrobenzenesulfonamide has a molecular weight of 314.37 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitrobenzenesulfonamide is sourced from PubChem (CID 63858622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).