N-(1-cyclopropylethyl)-2-hydrazinyl-N-methyl-5-nitrobenzenesulfonamide

C12H18N4O4S — CID 43569509

IUPACN-(1-cyclopropylethyl)-2-hydrazinyl-N-methyl-5-nitrobenzenesulfonamide
SMILESCC(C1CC1)N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN
InChIInChI=1S/C12H18N4O4S/c1-8(9-3-4-9)15(2)21(19,20)12-7-10(16(17)18)5-6-11(12)14-13/h5-9,14H,3-4,13H2,1-2H3
InChIKeyUPJPQMHYYDPICB-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.30
Rot. Bonds6

About N-(1-cyclopropylethyl)-2-hydrazinyl-N-methyl-5-nitrobenzenesulfonamide

N-(1-cyclopropylethyl)-2-hydrazinyl-N-methyl-5-nitrobenzenesulfonamide (PubChem CID 43569509) has the molecular formula C12H18N4O4S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-hydrazinyl-N-methyl-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2-hydrazinyl-N-methyl-5-nitrobenzenesulfonamide
PubChem CID43569509
Molecular FormulaC12H18N4O4S
Molecular Weight314.37 g/mol
Exact Mass314.10
IUPAC NameN-(1-cyclopropylethyl)-2-hydrazinyl-N-methyl-5-nitrobenzenesulfonamide
SMILESCC(C1CC1)N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN
InChIInChI=1S/C12H18N4O4S/c1-8(9-3-4-9)15(2)21(19,20)12-7-10(16(17)18)5-6-11(12)14-13/h5-9,14H,3-4,13H2,1-2H3
InChIKeyUPJPQMHYYDPICB-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
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

N-(1-cyclopropylethyl)-N-methyl-4-nitrobenzenesulfonamide
CID 47149207
2-hydrazinyl-N-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitrobenzenesulfonamide
CID 63858622
N-(2-cyanoethyl)-2-hydrazinyl-N-methyl-5-nitrobenzenesulfonamide
CID 43325252
N-[1-(dimethylamino)propan-2-yl]-2-hydrazinyl-5-nitrobenzenesulfonamide
CID 82939806
2-hydrazinyl-N-(2-methoxyethyl)-N-methyl-5-nitrobenzenesulfonamide
CID 61428525
2-hydrazinyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide
CID 43325298
N-cyclopentyl-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 43267398
N-(1-hydroxypropan-2-yl)-N-methyl-2-(methylamino)-5-nitrobenzenesulfonamide
CID 104554212
N-methyl-2-(methylamino)-5-nitro-N-pentan-3-ylbenzenesulfonamide
CID 62146287
2-hydrazinyl-N,N-dimethyl-4-nitrobenzenesulfonamide
CID 43142166
N-cyclohexyl-2-hydrazinyl-5-nitrobenzenesulfonamide
CID 43142170
N-(cyclopropylmethyl)-2-hydrazinyl-5-nitrobenzenesulfonamide
CID 43325324

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2-hydrazinyl-N-methyl-5-nitrobenzenesulfonamide?
The IUPAC name of N-(1-cyclopropylethyl)-2-hydrazinyl-N-methyl-5-nitrobenzenesulfonamide (CID 43569509) is N-(1-cyclopropylethyl)-2-hydrazinyl-N-methyl-5-nitrobenzenesulfonamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-2-hydrazinyl-N-methyl-5-nitrobenzenesulfonamide?
The canonical SMILES for N-(1-cyclopropylethyl)-2-hydrazinyl-N-methyl-5-nitrobenzenesulfonamide is CC(C1CC1)N(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN.
What is the InChIKey of N-(1-cyclopropylethyl)-2-hydrazinyl-N-methyl-5-nitrobenzenesulfonamide?
The InChIKey is UPJPQMHYYDPICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4S/c1-8(9-3-4-9)15(2)21(19,20)12-7-10(16(17)18)5-6-11(12)14-13/h5-9,14H,3-4,13H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-2-hydrazinyl-N-methyl-5-nitrobenzenesulfonamide?
N-(1-cyclopropylethyl)-2-hydrazinyl-N-methyl-5-nitrobenzenesulfonamide has a molecular weight of 314.37 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2-hydrazinyl-N-methyl-5-nitrobenzenesulfonamide is sourced from PubChem (CID 43569509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).