3-hydrazinyl-4-nitro-N-propan-2-yl-N-propylbenzenesulfonamide

C12H20N4O4S — CID 82847527

IUPAC3-hydrazinyl-4-nitro-N-propan-2-yl-N-propylbenzenesulfonamide
SMILESCCCN(C(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])c(NN)c1
InChIInChI=1S/C12H20N4O4S/c1-4-7-15(9(2)3)21(19,20)10-5-6-12(16(17)18)11(8-10)14-13/h5-6,8-9,14H,4,7,13H2,1-3H3
InChIKeyWCJYIMFMWIIGEP-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.69
Rot. Bonds7

About 3-hydrazinyl-4-nitro-N-propan-2-yl-N-propylbenzenesulfonamide

3-hydrazinyl-4-nitro-N-propan-2-yl-N-propylbenzenesulfonamide (PubChem CID 82847527) has the molecular formula C12H20N4O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-hydrazinyl-4-nitro-N-propan-2-yl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name3-hydrazinyl-4-nitro-N-propan-2-yl-N-propylbenzenesulfonamide
PubChem CID82847527
Molecular FormulaC12H20N4O4S
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC Name3-hydrazinyl-4-nitro-N-propan-2-yl-N-propylbenzenesulfonamide
SMILESCCCN(C(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])c(NN)c1
InChIInChI=1S/C12H20N4O4S/c1-4-7-15(9(2)3)21(19,20)10-5-6-12(16(17)18)11(8-10)14-13/h5-6,8-9,14H,4,7,13H2,1-3H3
InChIKeyWCJYIMFMWIIGEP-UHFFFAOYSA-N
XLogP1.69
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.69
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

3-hydrazinyl-N-methyl-4-nitro-N-pentan-2-ylbenzenesulfonamide
CID 82847669
N-(2-hydroxyethyl)-3-(methylamino)-4-nitro-N-propan-2-ylbenzenesulfonamide
CID 82846046
N-cyclopropyl-N-ethyl-3-hydrazinyl-4-nitrobenzenesulfonamide
CID 82854442
N-[2-(dimethylamino)propyl]-3-hydrazinyl-4-nitrobenzenesulfonamide
CID 82847704
N-hexan-2-yl-3-hydrazinyl-4-nitrobenzenesulfonamide
CID 82847825
N-cyclopentyl-3-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 82847526
N-ethyl-4-(ethylamino)-3-nitro-N-propan-2-ylbenzenesulfonamide
CID 62144793
N-butan-2-yl-N-methyl-3-(methylamino)-4-nitrobenzenesulfonamide
CID 82854127
3-hydrazinyl-N-(1-methoxypropan-2-yl)-4-nitrobenzenesulfonamide
CID 82854516
4-hydrazinyl-N-methyl-N-(2-methylbutyl)-3-nitrobenzenesulfonamide
CID 43296192
N,N-diethyl-3-(ethylamino)-4-nitrobenzenesulfonamide
CID 82854182
N-butan-2-yl-4-hydrazinyl-3-nitrobenzenesulfonamide
CID 43142187

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-4-nitro-N-propan-2-yl-N-propylbenzenesulfonamide?
The IUPAC name of 3-hydrazinyl-4-nitro-N-propan-2-yl-N-propylbenzenesulfonamide (CID 82847527) is 3-hydrazinyl-4-nitro-N-propan-2-yl-N-propylbenzenesulfonamide.
What is the SMILES notation for 3-hydrazinyl-4-nitro-N-propan-2-yl-N-propylbenzenesulfonamide?
The canonical SMILES for 3-hydrazinyl-4-nitro-N-propan-2-yl-N-propylbenzenesulfonamide is CCCN(C(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])c(NN)c1.
What is the InChIKey of 3-hydrazinyl-4-nitro-N-propan-2-yl-N-propylbenzenesulfonamide?
The InChIKey is WCJYIMFMWIIGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4S/c1-4-7-15(9(2)3)21(19,20)10-5-6-12(16(17)18)11(8-10)14-13/h5-6,8-9,14H,4,7,13H2,1-3H3.
What are the key properties of 3-hydrazinyl-4-nitro-N-propan-2-yl-N-propylbenzenesulfonamide?
3-hydrazinyl-4-nitro-N-propan-2-yl-N-propylbenzenesulfonamide has a molecular weight of 316.38 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-4-nitro-N-propan-2-yl-N-propylbenzenesulfonamide is sourced from PubChem (CID 82847527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).