N-cyclopropyl-5-hydrazinyl-2-nitro-N-propylbenzenesulfonamide

C12H18N4O4S — CID 60990037

IUPACN-cyclopropyl-5-hydrazinyl-2-nitro-N-propylbenzenesulfonamide
SMILESCCCN(C1CC1)S(=O)(=O)c1cc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O4S/c1-2-7-15(10-4-5-10)21(19,20)12-8-9(14-13)3-6-11(12)16(17)18/h3,6,8,10,14H,2,4-5,7,13H2,1H3
InChIKeyZXMUQYJIOSSRBV-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.44
Rot. Bonds7

About N-cyclopropyl-5-hydrazinyl-2-nitro-N-propylbenzenesulfonamide

N-cyclopropyl-5-hydrazinyl-2-nitro-N-propylbenzenesulfonamide (PubChem CID 60990037) has the molecular formula C12H18N4O4S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-cyclopropyl-5-hydrazinyl-2-nitro-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-5-hydrazinyl-2-nitro-N-propylbenzenesulfonamide
PubChem CID60990037
Molecular FormulaC12H18N4O4S
Molecular Weight314.37 g/mol
Exact Mass314.10
IUPAC NameN-cyclopropyl-5-hydrazinyl-2-nitro-N-propylbenzenesulfonamide
SMILESCCCN(C1CC1)S(=O)(=O)c1cc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O4S/c1-2-7-15(10-4-5-10)21(19,20)12-8-9(14-13)3-6-11(12)16(17)18/h3,6,8,10,14H,2,4-5,7,13H2,1H3
InChIKeyZXMUQYJIOSSRBV-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'}

Analyze N-cyclopropyl-5-hydrazinyl-2-nitro-N-propylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-N-ethyl-5-(ethylamino)-2-nitrobenzenesulfonamide
CID 62143932
N-cyclopropyl-2-hydrazinyl-4-nitro-N-propylbenzenesulfonamide
CID 43270705
5-chloro-2-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119994172
5-amino-N-cyclopropyl-N-(2-methoxyethyl)-2-nitrobenzenesulfonamide
CID 62156814
N-ethyl-5-hydrazinyl-2-nitrobenzenesulfonamide
CID 60988898
N-cyclopropyl-N-ethyl-3-hydrazinyl-4-nitrobenzenesulfonamide
CID 82854442
5-hydrazinyl-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-nitrobenzenesulfonamide
CID 79379501
7-nitro-N-piperidin-4-yl-N-propyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 119993806
N-[3-(dimethylamino)propyl]-5-hydrazinyl-2-nitrobenzenesulfonamide
CID 60989360
5-amino-N-(cyclopropylmethyl)-2-nitro-N-propylbenzenesulfonamide
CID 62159096
2-methyl-3-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119993938
N-ethyl-N-methyl-2-nitro-5-(propylamino)benzenesulfonamide
CID 62142898

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-hydrazinyl-2-nitro-N-propylbenzenesulfonamide?
The IUPAC name of N-cyclopropyl-5-hydrazinyl-2-nitro-N-propylbenzenesulfonamide (CID 60990037) is N-cyclopropyl-5-hydrazinyl-2-nitro-N-propylbenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-5-hydrazinyl-2-nitro-N-propylbenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-5-hydrazinyl-2-nitro-N-propylbenzenesulfonamide is CCCN(C1CC1)S(=O)(=O)c1cc(NN)ccc1[N+](=O)[O-].
What is the InChIKey of N-cyclopropyl-5-hydrazinyl-2-nitro-N-propylbenzenesulfonamide?
The InChIKey is ZXMUQYJIOSSRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4S/c1-2-7-15(10-4-5-10)21(19,20)12-8-9(14-13)3-6-11(12)16(17)18/h3,6,8,10,14H,2,4-5,7,13H2,1H3.
What are the key properties of N-cyclopropyl-5-hydrazinyl-2-nitro-N-propylbenzenesulfonamide?
N-cyclopropyl-5-hydrazinyl-2-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-5-hydrazinyl-2-nitro-N-propylbenzenesulfonamide is sourced from PubChem (CID 60990037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).