N-(cyclopropylmethyl)-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide

C11H16N4O4S — CID 60985425

IUPACN-(cyclopropylmethyl)-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
SMILESCN(CC1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1NN
InChIInChI=1S/C11H16N4O4S/c1-14(7-8-2-3-8)20(18,19)11-5-4-9(15(16)17)6-10(11)13-12/h4-6,8,13H,2-3,7,12H2,1H3
InChIKeyHAHIHVCFNNBLJB-UHFFFAOYSA-N
MW300.34 g/mol
LogP0.91
Rot. Bonds6

About N-(cyclopropylmethyl)-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide

N-(cyclopropylmethyl)-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide (PubChem CID 60985425) has the molecular formula C11H16N4O4S and a molecular weight of 300.34 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
PubChem CID60985425
Molecular FormulaC11H16N4O4S
Molecular Weight300.34 g/mol
Exact Mass300.09
IUPAC NameN-(cyclopropylmethyl)-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
SMILESCN(CC1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1NN
InChIInChI=1S/C11H16N4O4S/c1-14(7-8-2-3-8)20(18,19)11-5-4-9(15(16)17)6-10(11)13-12/h4-6,8,13H,2-3,7,12H2,1H3
InChIKeyHAHIHVCFNNBLJB-UHFFFAOYSA-N
XLogP0.91
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 50.91
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-hydrazinyl-N,N-dimethyl-4-nitrobenzenesulfonamide
CID 43142166
N-cyclopentyl-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 43267398
N-(cyclopropylmethyl)-3-hydrazinyl-N-methyl-2-nitrobenzenesulfonamide
CID 115992755
N-cyclopropyl-2-hydrazinyl-4-nitro-N-propylbenzenesulfonamide
CID 43270705
2-hydrazinyl-N-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitrobenzenesulfonamide
CID 63858622
2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 43142196
N-(cyclopentylmethyl)-2-hydrazinyl-N-methylbenzenesulfonamide
CID 63656151
N-(cyclopropylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]cyclopropanamine
CID 64520066
N-(2-cyanoethyl)-2-hydrazinyl-N-methyl-5-nitrobenzenesulfonamide
CID 43325252
N-(cyclopropylmethyl)-N-[(2-hydrazinyl-5-nitrophenyl)methyl]propan-1-amine
CID 62245318
3-amino-N-(cyclopropylmethyl)-N-methyl-2-nitrobenzenesulfonamide
CID 112675324
N-(cyclopropylmethyl)-2-hydrazinyl-5-nitrobenzenesulfonamide
CID 43325324

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide (CID 60985425) is N-(cyclopropylmethyl)-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide is CN(CC1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1NN.
What is the InChIKey of N-(cyclopropylmethyl)-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide?
The InChIKey is HAHIHVCFNNBLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4S/c1-14(7-8-2-3-8)20(18,19)11-5-4-9(15(16)17)6-10(11)13-12/h4-6,8,13H,2-3,7,12H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide?
N-(cyclopropylmethyl)-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide has a molecular weight of 300.34 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide is sourced from PubChem (CID 60985425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).