N-tert-butyl-2-fluoro-6-hydrazinyl-4-nitrobenzenesulfonamide

C10H15FN4O4S — CID 60985950

IUPACN-tert-butyl-2-fluoro-6-hydrazinyl-4-nitrobenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1c(F)cc([N+](=O)[O-])cc1NN
InChIInChI=1S/C10H15FN4O4S/c1-10(2,3)14-20(18,19)9-7(11)4-6(15(16)17)5-8(9)13-12/h4-5,13-14H,12H2,1-3H3
InChIKeyPLDFCOZUUVNWAK-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.10
Rot. Bonds4

About N-tert-butyl-2-fluoro-6-hydrazinyl-4-nitrobenzenesulfonamide

N-tert-butyl-2-fluoro-6-hydrazinyl-4-nitrobenzenesulfonamide (PubChem CID 60985950) has the molecular formula C10H15FN4O4S and a molecular weight of 306.32 g/mol. Its IUPAC name is N-tert-butyl-2-fluoro-6-hydrazinyl-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2-fluoro-6-hydrazinyl-4-nitrobenzenesulfonamide
PubChem CID60985950
Molecular FormulaC10H15FN4O4S
Molecular Weight306.32 g/mol
Exact Mass306.08
IUPAC NameN-tert-butyl-2-fluoro-6-hydrazinyl-4-nitrobenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1c(F)cc([N+](=O)[O-])cc1NN
InChIInChI=1S/C10H15FN4O4S/c1-10(2,3)14-20(18,19)9-7(11)4-6(15(16)17)5-8(9)13-12/h4-5,13-14H,12H2,1-3H3
InChIKeyPLDFCOZUUVNWAK-UHFFFAOYSA-N
XLogP1.10
TPSA127.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.10
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'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-fluoro-6-hydrazinyl-4-nitrobenzenesulfonamide?
The IUPAC name of N-tert-butyl-2-fluoro-6-hydrazinyl-4-nitrobenzenesulfonamide (CID 60985950) is N-tert-butyl-2-fluoro-6-hydrazinyl-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-tert-butyl-2-fluoro-6-hydrazinyl-4-nitrobenzenesulfonamide?
The canonical SMILES for N-tert-butyl-2-fluoro-6-hydrazinyl-4-nitrobenzenesulfonamide is CC(C)(C)NS(=O)(=O)c1c(F)cc([N+](=O)[O-])cc1NN.
What is the InChIKey of N-tert-butyl-2-fluoro-6-hydrazinyl-4-nitrobenzenesulfonamide?
The InChIKey is PLDFCOZUUVNWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O4S/c1-10(2,3)14-20(18,19)9-7(11)4-6(15(16)17)5-8(9)13-12/h4-5,13-14H,12H2,1-3H3.
What are the key properties of N-tert-butyl-2-fluoro-6-hydrazinyl-4-nitrobenzenesulfonamide?
N-tert-butyl-2-fluoro-6-hydrazinyl-4-nitrobenzenesulfonamide has a molecular weight of 306.32 g/mol, XLogP of 1.10, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-fluoro-6-hydrazinyl-4-nitrobenzenesulfonamide is sourced from PubChem (CID 60985950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).