4-amino-2-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide

C9H9FN4O2S — CID 55214512

IUPAC4-amino-2-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ncc[nH]2)c(F)c1
InChIInChI=1S/C9H9FN4O2S/c10-7-5-6(11)1-2-8(7)17(15,16)14-9-12-3-4-13-9/h1-5H,11H2,(H2,12,13,14)
InChIKeyCGIBJHWWXPXAJT-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.93
Rot. Bonds3

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

4-amino-2-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide (PubChem CID 55214512) has the molecular formula C9H9FN4O2S and a molecular weight of 256.26 g/mol. Its IUPAC name is 4-amino-2-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide
PubChem CID55214512
Molecular FormulaC9H9FN4O2S
Molecular Weight256.26 g/mol
Exact Mass256.04
IUPAC Name4-amino-2-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ncc[nH]2)c(F)c1
InChIInChI=1S/C9H9FN4O2S/c10-7-5-6(11)1-2-8(7)17(15,16)14-9-12-3-4-13-9/h1-5H,11H2,(H2,12,13,14)
InChIKeyCGIBJHWWXPXAJT-UHFFFAOYSA-N
XLogP0.93
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide (CID 55214512) is 4-amino-2-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2ncc[nH]2)c(F)c1.
What is the InChIKey of 4-amino-2-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide?
The InChIKey is CGIBJHWWXPXAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4O2S/c10-7-5-6(11)1-2-8(7)17(15,16)14-9-12-3-4-13-9/h1-5H,11H2,(H2,12,13,14).
What are the key properties of 4-amino-2-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide?
4-amino-2-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide has a molecular weight of 256.26 g/mol, XLogP of 0.93, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 55214512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).