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

C11H17FN4O4S — CID 60985894

IUPACN-butyl-2-fluoro-6-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
SMILESCCCCN(C)S(=O)(=O)c1c(F)cc([N+](=O)[O-])cc1NN
InChIInChI=1S/C11H17FN4O4S/c1-3-4-5-15(2)21(19,20)11-9(12)6-8(16(17)18)7-10(11)14-13/h6-7,14H,3-5,13H2,1-2H3
InChIKeyXMDFORZNCVRXSN-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.44
Rot. Bonds7

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

N-butyl-2-fluoro-6-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide (PubChem CID 60985894) has the molecular formula C11H17FN4O4S and a molecular weight of 320.35 g/mol. Its IUPAC name is N-butyl-2-fluoro-6-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-butyl-2-fluoro-6-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
PubChem CID60985894
Molecular FormulaC11H17FN4O4S
Molecular Weight320.35 g/mol
Exact Mass320.10
IUPAC NameN-butyl-2-fluoro-6-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
SMILESCCCCN(C)S(=O)(=O)c1c(F)cc([N+](=O)[O-])cc1NN
InChIInChI=1S/C11H17FN4O4S/c1-3-4-5-15(2)21(19,20)11-9(12)6-8(16(17)18)7-10(11)14-13/h6-7,14H,3-5,13H2,1-2H3
InChIKeyXMDFORZNCVRXSN-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 ≤ 500320.35
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'}

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Related Compounds

2-fluoro-6-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-4-nitrobenzenesulfonamide
CID 62335849
2-fluoro-6-hydrazinyl-4-nitro-N-pentylbenzenesulfonamide
CID 60985877
N-tert-butyl-2-fluoro-6-hydrazinyl-4-nitrobenzenesulfonamide
CID 60985950
2-fluoro-6-hydrazinyl-N-(2-methylbutyl)-4-nitrobenzenesulfonamide
CID 62692698
4-amino-2,6-difluoro-N-methyl-N-pentylbenzenesulfonamide
CID 54888877
2-(ethylamino)-6-fluoro-4-nitrobenzenesulfonamide
CID 61036668
N-(cyclopropylmethyl)-2-fluoro-6-hydrazinyl-4-nitrobenzenesulfonamide
CID 60985987
N-butyl-3-fluoro-N-methyl-2-nitrobenzenesulfonamide
CID 112686204
2-amino-6-fluoro-N,N-dimethyl-4-nitrobenzenesulfonamide
CID 62151022
N-(2-cyanoethyl)-2-hydrazinyl-N-methyl-5-nitrobenzenesulfonamide
CID 43325252
N-butyl-N,2,3,4,5,6-hexamethylbenzenesulfonamide
CID 3332180
4-amino-3-fluoro-N-methyl-N-propylbenzenesulfonamide
CID 82843782

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-fluoro-6-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide?
The IUPAC name of N-butyl-2-fluoro-6-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide (CID 60985894) is N-butyl-2-fluoro-6-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-butyl-2-fluoro-6-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide?
The canonical SMILES for N-butyl-2-fluoro-6-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide is CCCCN(C)S(=O)(=O)c1c(F)cc([N+](=O)[O-])cc1NN.
What is the InChIKey of N-butyl-2-fluoro-6-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide?
The InChIKey is XMDFORZNCVRXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O4S/c1-3-4-5-15(2)21(19,20)11-9(12)6-8(16(17)18)7-10(11)14-13/h6-7,14H,3-5,13H2,1-2H3.
What are the key properties of N-butyl-2-fluoro-6-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide?
N-butyl-2-fluoro-6-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide has a molecular weight of 320.35 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-butyl-2-fluoro-6-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide is sourced from PubChem (CID 60985894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).