N-(3-chloropyrazin-2-yl)-2-fluoro-4-nitrobenzenesulfonamide

C10H6ClFN4O4S — CID 102990213

IUPACN-(3-chloropyrazin-2-yl)-2-fluoro-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)Nc2nccnc2Cl)c(F)c1
InChIInChI=1S/C10H6ClFN4O4S/c11-9-10(14-4-3-13-9)15-21(19,20)8-2-1-6(16(17)18)5-7(8)12/h1-5H,(H,14,15)
InChIKeyGWJUGYPJTJFPDF-UHFFFAOYSA-N
MW332.70 g/mol
LogP1.98
Rot. Bonds4

About N-(3-chloropyrazin-2-yl)-2-fluoro-4-nitrobenzenesulfonamide

N-(3-chloropyrazin-2-yl)-2-fluoro-4-nitrobenzenesulfonamide (PubChem CID 102990213) has the molecular formula C10H6ClFN4O4S and a molecular weight of 332.70 g/mol. Its IUPAC name is N-(3-chloropyrazin-2-yl)-2-fluoro-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloropyrazin-2-yl)-2-fluoro-4-nitrobenzenesulfonamide
PubChem CID102990213
Molecular FormulaC10H6ClFN4O4S
Molecular Weight332.70 g/mol
Exact Mass331.98
IUPAC NameN-(3-chloropyrazin-2-yl)-2-fluoro-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)Nc2nccnc2Cl)c(F)c1
InChIInChI=1S/C10H6ClFN4O4S/c11-9-10(14-4-3-13-9)15-21(19,20)8-2-1-6(16(17)18)5-7(8)12/h1-5H,(H,14,15)
InChIKeyGWJUGYPJTJFPDF-UHFFFAOYSA-N
XLogP1.98
TPSA115.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.70
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(3-chloropyrazin-2-yl)-2-fluorobenzenesulfonamide
CID 102989949
N-(3-chloropyrazin-2-yl)-3-fluoro-4-nitrobenzenesulfonamide
CID 102989939
2-fluoro-N-(1H-imidazol-2-yl)-4-nitrobenzenesulfonamide
CID 63564848
N-(4-bromo-2-pyridinyl)-2-fluoro-4-nitrobenzenesulfonamide
CID 102671865
N-(3-chloropyrazin-2-yl)-2-fluoro-4-nitrobenzamide
CID 102989137
N-(4-chloro-2-pyridinyl)-2-fluoro-5-nitrobenzenesulfonamide
CID 104821758
2,5-dichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide
CID 102989905
2-fluoro-N-methoxy-4-nitrobenzenesulfonamide
CID 61072233
2-chloro-N-(4-chloro-2-pyridinyl)-4-nitrobenzenesulfonamide
CID 115687701
N-cyclopropyl-2-fluoro-4-nitrobenzenesulfonamide
CID 61060866
2-chloro-N-(2-chloro-3-pyridinyl)-5-nitrobenzenesulfonamide
CID 60639935
2-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-nitrobenzenesulfonamide
CID 83097924

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropyrazin-2-yl)-2-fluoro-4-nitrobenzenesulfonamide?
The IUPAC name of N-(3-chloropyrazin-2-yl)-2-fluoro-4-nitrobenzenesulfonamide (CID 102990213) is N-(3-chloropyrazin-2-yl)-2-fluoro-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-(3-chloropyrazin-2-yl)-2-fluoro-4-nitrobenzenesulfonamide?
The canonical SMILES for N-(3-chloropyrazin-2-yl)-2-fluoro-4-nitrobenzenesulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nccnc2Cl)c(F)c1.
What is the InChIKey of N-(3-chloropyrazin-2-yl)-2-fluoro-4-nitrobenzenesulfonamide?
The InChIKey is GWJUGYPJTJFPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN4O4S/c11-9-10(14-4-3-13-9)15-21(19,20)8-2-1-6(16(17)18)5-7(8)12/h1-5H,(H,14,15).
What are the key properties of N-(3-chloropyrazin-2-yl)-2-fluoro-4-nitrobenzenesulfonamide?
N-(3-chloropyrazin-2-yl)-2-fluoro-4-nitrobenzenesulfonamide has a molecular weight of 332.70 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropyrazin-2-yl)-2-fluoro-4-nitrobenzenesulfonamide is sourced from PubChem (CID 102990213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).