2-fluoro-6-hydrazinyl-N-(2-methylbutyl)-4-nitrobenzenesulfonamide

C11H17FN4O4S — CID 62692698

IUPAC2-fluoro-6-hydrazinyl-N-(2-methylbutyl)-4-nitrobenzenesulfonamide
SMILESCCC(C)CNS(=O)(=O)c1c(F)cc([N+](=O)[O-])cc1NN
InChIInChI=1S/C11H17FN4O4S/c1-3-7(2)6-14-21(19,20)11-9(12)4-8(16(17)18)5-10(11)15-13/h4-5,7,14-15H,3,6,13H2,1-2H3
InChIKeyRDACNZNXNOJYJX-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.34
Rot. Bonds7

About 2-fluoro-6-hydrazinyl-N-(2-methylbutyl)-4-nitrobenzenesulfonamide

2-fluoro-6-hydrazinyl-N-(2-methylbutyl)-4-nitrobenzenesulfonamide (PubChem CID 62692698) has the molecular formula C11H17FN4O4S and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-fluoro-6-hydrazinyl-N-(2-methylbutyl)-4-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-6-hydrazinyl-N-(2-methylbutyl)-4-nitrobenzenesulfonamide
PubChem CID62692698
Molecular FormulaC11H17FN4O4S
Molecular Weight320.35 g/mol
Exact Mass320.10
IUPAC Name2-fluoro-6-hydrazinyl-N-(2-methylbutyl)-4-nitrobenzenesulfonamide
SMILESCCC(C)CNS(=O)(=O)c1c(F)cc([N+](=O)[O-])cc1NN
InChIInChI=1S/C11H17FN4O4S/c1-3-7(2)6-14-21(19,20)11-9(12)4-8(16(17)18)5-10(11)15-13/h4-5,7,14-15H,3,6,13H2,1-2H3
InChIKeyRDACNZNXNOJYJX-UHFFFAOYSA-N
XLogP1.34
TPSA127.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.34
H-Bond Donors ≤ 53
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 2-fluoro-6-hydrazinyl-N-(2-methylbutyl)-4-nitrobenzenesulfonamide 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

2-fluoro-6-hydrazinyl-4-nitro-N-pentylbenzenesulfonamide
CID 60985877
N-(cyclopropylmethyl)-2-fluoro-6-hydrazinyl-4-nitrobenzenesulfonamide
CID 60985987
N-tert-butyl-2-fluoro-6-hydrazinyl-4-nitrobenzenesulfonamide
CID 60985950
2-amino-N-[2-(dimethylamino)propyl]-6-fluoro-4-nitrobenzenesulfonamide
CID 62158104
2-fluoro-6-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-4-nitrobenzenesulfonamide
CID 62335849
N-butyl-2-fluoro-6-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 60985894
2-(ethylamino)-6-fluoro-4-nitrobenzenesulfonamide
CID 61036668
3-fluoro-N-(2-methylbutyl)-2-nitrobenzenesulfonamide
CID 112674559
2-[[2-fluoro-6-(methylamino)-4-nitrophenyl]sulfonylamino]-N-methylacetamide
CID 62148008
2-fluoro-6-hydrazinyl-4-nitro-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114912901
2-fluoro-6-hydrazinyl-4-nitro-N-(oxolan-3-yl)benzenesulfonamide
CID 80712583
2-hydrazinyl-N-(2-methylpropyl)-5-nitrobenzenesulfonamide
CID 43325298

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-hydrazinyl-N-(2-methylbutyl)-4-nitrobenzenesulfonamide?
The IUPAC name of 2-fluoro-6-hydrazinyl-N-(2-methylbutyl)-4-nitrobenzenesulfonamide (CID 62692698) is 2-fluoro-6-hydrazinyl-N-(2-methylbutyl)-4-nitrobenzenesulfonamide.
What is the SMILES notation for 2-fluoro-6-hydrazinyl-N-(2-methylbutyl)-4-nitrobenzenesulfonamide?
The canonical SMILES for 2-fluoro-6-hydrazinyl-N-(2-methylbutyl)-4-nitrobenzenesulfonamide is CCC(C)CNS(=O)(=O)c1c(F)cc([N+](=O)[O-])cc1NN.
What is the InChIKey of 2-fluoro-6-hydrazinyl-N-(2-methylbutyl)-4-nitrobenzenesulfonamide?
The InChIKey is RDACNZNXNOJYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O4S/c1-3-7(2)6-14-21(19,20)11-9(12)4-8(16(17)18)5-10(11)15-13/h4-5,7,14-15H,3,6,13H2,1-2H3.
What are the key properties of 2-fluoro-6-hydrazinyl-N-(2-methylbutyl)-4-nitrobenzenesulfonamide?
2-fluoro-6-hydrazinyl-N-(2-methylbutyl)-4-nitrobenzenesulfonamide has a molecular weight of 320.35 g/mol, XLogP of 1.34, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-hydrazinyl-N-(2-methylbutyl)-4-nitrobenzenesulfonamide is sourced from PubChem (CID 62692698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).