2-fluoro-6-hydrazinyl-4-nitro-N-pentylbenzenesulfonamide

C11H17FN4O4S — CID 60985877

IUPAC2-fluoro-6-hydrazinyl-4-nitro-N-pentylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1c(F)cc([N+](=O)[O-])cc1NN
InChIInChI=1S/C11H17FN4O4S/c1-2-3-4-5-14-21(19,20)11-9(12)6-8(16(17)18)7-10(11)15-13/h6-7,14-15H,2-5,13H2,1H3
InChIKeyVIJHPGZQAOCWTA-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.49
Rot. Bonds8

About 2-fluoro-6-hydrazinyl-4-nitro-N-pentylbenzenesulfonamide

2-fluoro-6-hydrazinyl-4-nitro-N-pentylbenzenesulfonamide (PubChem CID 60985877) has the molecular formula C11H17FN4O4S and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-fluoro-6-hydrazinyl-4-nitro-N-pentylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-6-hydrazinyl-4-nitro-N-pentylbenzenesulfonamide
PubChem CID60985877
Molecular FormulaC11H17FN4O4S
Molecular Weight320.35 g/mol
Exact Mass320.10
IUPAC Name2-fluoro-6-hydrazinyl-4-nitro-N-pentylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1c(F)cc([N+](=O)[O-])cc1NN
InChIInChI=1S/C11H17FN4O4S/c1-2-3-4-5-14-21(19,20)11-9(12)6-8(16(17)18)7-10(11)15-13/h6-7,14-15H,2-5,13H2,1H3
InChIKeyVIJHPGZQAOCWTA-UHFFFAOYSA-N
XLogP1.49
TPSA127.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

2-fluoro-6-hydrazinyl-N-(2-methylbutyl)-4-nitrobenzenesulfonamide
CID 62692698
N-butyl-2-fluoro-6-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 60985894
N-(cyclopropylmethyl)-2-fluoro-6-hydrazinyl-4-nitrobenzenesulfonamide
CID 60985987
N-tert-butyl-2-fluoro-6-hydrazinyl-4-nitrobenzenesulfonamide
CID 60985950
2-fluoro-6-(methylamino)-N-(3-methylsulfanylpropyl)-4-nitrobenzenesulfonamide
CID 63960814
2-amino-N-(2-ethoxyethyl)-6-fluoro-4-nitrobenzenesulfonamide
CID 62164203
2-fluoro-6-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-4-nitrobenzenesulfonamide
CID 62335849
2-(ethylamino)-6-fluoro-4-nitrobenzenesulfonamide
CID 61036668
N-butyl-4-hydrazinyl-3-nitrobenzenesulfonamide
CID 43142157
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

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-hydrazinyl-4-nitro-N-pentylbenzenesulfonamide?
The IUPAC name of 2-fluoro-6-hydrazinyl-4-nitro-N-pentylbenzenesulfonamide (CID 60985877) is 2-fluoro-6-hydrazinyl-4-nitro-N-pentylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-6-hydrazinyl-4-nitro-N-pentylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-6-hydrazinyl-4-nitro-N-pentylbenzenesulfonamide is CCCCCNS(=O)(=O)c1c(F)cc([N+](=O)[O-])cc1NN.
What is the InChIKey of 2-fluoro-6-hydrazinyl-4-nitro-N-pentylbenzenesulfonamide?
The InChIKey is VIJHPGZQAOCWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O4S/c1-2-3-4-5-14-21(19,20)11-9(12)6-8(16(17)18)7-10(11)15-13/h6-7,14-15H,2-5,13H2,1H3.
What are the key properties of 2-fluoro-6-hydrazinyl-4-nitro-N-pentylbenzenesulfonamide?
2-fluoro-6-hydrazinyl-4-nitro-N-pentylbenzenesulfonamide has a molecular weight of 320.35 g/mol, XLogP of 1.49, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-hydrazinyl-4-nitro-N-pentylbenzenesulfonamide is sourced from PubChem (CID 60985877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).