N-cyclopropyl-2-hydrazinyl-4-nitro-N-propylbenzenesulfonamide

C12H18N4O4S — CID 43270705

IUPACN-cyclopropyl-2-hydrazinyl-4-nitro-N-propylbenzenesulfonamide
SMILESCCCN(C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1NN
InChIInChI=1S/C12H18N4O4S/c1-2-7-15(9-3-4-9)21(19,20)12-6-5-10(16(17)18)8-11(12)14-13/h5-6,8-9,14H,2-4,7,13H2,1H3
InChIKeyUPEKZUJTLKJDAQ-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.44
Rot. Bonds7

About N-cyclopropyl-2-hydrazinyl-4-nitro-N-propylbenzenesulfonamide

N-cyclopropyl-2-hydrazinyl-4-nitro-N-propylbenzenesulfonamide (PubChem CID 43270705) has the molecular formula C12H18N4O4S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-cyclopropyl-2-hydrazinyl-4-nitro-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2-hydrazinyl-4-nitro-N-propylbenzenesulfonamide
PubChem CID43270705
Molecular FormulaC12H18N4O4S
Molecular Weight314.37 g/mol
Exact Mass314.10
IUPAC NameN-cyclopropyl-2-hydrazinyl-4-nitro-N-propylbenzenesulfonamide
SMILESCCCN(C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1NN
InChIInChI=1S/C12H18N4O4S/c1-2-7-15(9-3-4-9)21(19,20)12-6-5-10(16(17)18)8-11(12)14-13/h5-6,8-9,14H,2-4,7,13H2,1H3
InChIKeyUPEKZUJTLKJDAQ-UHFFFAOYSA-N
XLogP1.44
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.44
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-cyclopropyl-5-hydrazinyl-2-nitro-N-propylbenzenesulfonamide
CID 60990037
N-cyclopentyl-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 43267398
N-(cyclopropylmethyl)-2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 60985425
2-hydrazinyl-N,N-dimethyl-4-nitrobenzenesulfonamide
CID 43142166
N-cyclopropyl-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methyl-4-nitrobenzenesulfonamide
CID 100612749
N-(azetidin-3-yl)-2-chloro-4-nitro-N-propylbenzenesulfonamide
CID 66216474
N-cyclopropyl-N-ethyl-3-hydrazinyl-4-nitrobenzenesulfonamide
CID 82854442
2-hydrazinyl-4-nitro-N-pentan-3-ylbenzenesulfonamide
CID 43325303
2-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976314
2-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 43142196
N-[(2-hydrazinyl-5-nitrophenyl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 62244217
N-[2-[ethyl(methyl)amino]ethyl]-2-hydrazinyl-4-nitrobenzenesulfonamide
CID 62635669

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-hydrazinyl-4-nitro-N-propylbenzenesulfonamide?
The IUPAC name of N-cyclopropyl-2-hydrazinyl-4-nitro-N-propylbenzenesulfonamide (CID 43270705) is N-cyclopropyl-2-hydrazinyl-4-nitro-N-propylbenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-2-hydrazinyl-4-nitro-N-propylbenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-2-hydrazinyl-4-nitro-N-propylbenzenesulfonamide is CCCN(C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1NN.
What is the InChIKey of N-cyclopropyl-2-hydrazinyl-4-nitro-N-propylbenzenesulfonamide?
The InChIKey is UPEKZUJTLKJDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4S/c1-2-7-15(9-3-4-9)21(19,20)12-6-5-10(16(17)18)8-11(12)14-13/h5-6,8-9,14H,2-4,7,13H2,1H3.
What are the key properties of N-cyclopropyl-2-hydrazinyl-4-nitro-N-propylbenzenesulfonamide?
N-cyclopropyl-2-hydrazinyl-4-nitro-N-propylbenzenesulfonamide has a molecular weight of 314.37 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-hydrazinyl-4-nitro-N-propylbenzenesulfonamide is sourced from PubChem (CID 43270705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).