2-fluoro-N-(1H-imidazol-2-yl)-4-nitrobenzenesulfonamide

C9H7FN4O4S — CID 63564848

IUPAC2-fluoro-N-(1H-imidazol-2-yl)-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncc[nH]2)c(F)c1
InChIInChI=1S/C9H7FN4O4S/c10-7-5-6(14(15)16)1-2-8(7)19(17,18)13-9-11-3-4-12-9/h1-5H,(H2,11,12,13)
InChIKeyPKMMVVPPBSJVCE-UHFFFAOYSA-N
MW286.24 g/mol
LogP1.26
Rot. Bonds4

About 2-fluoro-N-(1H-imidazol-2-yl)-4-nitrobenzenesulfonamide

2-fluoro-N-(1H-imidazol-2-yl)-4-nitrobenzenesulfonamide (PubChem CID 63564848) has the molecular formula C9H7FN4O4S and a molecular weight of 286.24 g/mol. Its IUPAC name is 2-fluoro-N-(1H-imidazol-2-yl)-4-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(1H-imidazol-2-yl)-4-nitrobenzenesulfonamide
PubChem CID63564848
Molecular FormulaC9H7FN4O4S
Molecular Weight286.24 g/mol
Exact Mass286.02
IUPAC Name2-fluoro-N-(1H-imidazol-2-yl)-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncc[nH]2)c(F)c1
InChIInChI=1S/C9H7FN4O4S/c10-7-5-6(14(15)16)1-2-8(7)19(17,18)13-9-11-3-4-12-9/h1-5H,(H2,11,12,13)
InChIKeyPKMMVVPPBSJVCE-UHFFFAOYSA-N
XLogP1.26
TPSA117.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-amino-6-fluoro-N-(1H-imidazol-2-yl)-4-nitrobenzenesulfonamide
CID 63564716
2-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide
CID 63563905
N-(3-chloropyrazin-2-yl)-2-fluoro-4-nitrobenzenesulfonamide
CID 102990213
N-(4-bromo-2-pyridinyl)-2-fluoro-4-nitrobenzenesulfonamide
CID 102671865
2-fluoro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-nitrobenzenesulfonamide
CID 83097924
2-fluoro-N-(1H-imidazol-2-yl)-5-methylbenzenesulfonamide
CID 63562958
2-fluoro-N-methoxy-4-nitrobenzenesulfonamide
CID 61072233
2-fluoro-4-nitro-N-prop-2-ynylbenzenesulfonamide
CID 54978632
4-fluoro-N-(1H-imidazol-2-yl)-3-methyl-5-nitrobenzenesulfonamide
CID 115421974
N-cyclopropyl-2-fluoro-4-nitrobenzenesulfonamide
CID 61060866
2-amino-5-bromo-4-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide
CID 106491773
5-amino-3-fluoro-N-(1H-imidazol-2-yl)-2-methylbenzenesulfonamide
CID 79895976

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1H-imidazol-2-yl)-4-nitrobenzenesulfonamide?
The IUPAC name of 2-fluoro-N-(1H-imidazol-2-yl)-4-nitrobenzenesulfonamide (CID 63564848) is 2-fluoro-N-(1H-imidazol-2-yl)-4-nitrobenzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(1H-imidazol-2-yl)-4-nitrobenzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(1H-imidazol-2-yl)-4-nitrobenzenesulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncc[nH]2)c(F)c1.
What is the InChIKey of 2-fluoro-N-(1H-imidazol-2-yl)-4-nitrobenzenesulfonamide?
The InChIKey is PKMMVVPPBSJVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4O4S/c10-7-5-6(14(15)16)1-2-8(7)19(17,18)13-9-11-3-4-12-9/h1-5H,(H2,11,12,13).
What are the key properties of 2-fluoro-N-(1H-imidazol-2-yl)-4-nitrobenzenesulfonamide?
2-fluoro-N-(1H-imidazol-2-yl)-4-nitrobenzenesulfonamide has a molecular weight of 286.24 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1H-imidazol-2-yl)-4-nitrobenzenesulfonamide is sourced from PubChem (CID 63564848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).