4-amino-2,6-difluoro-N-(1H-imidazol-2-yl)benzenesulfonamide

C9H8F2N4O2S — CID 63565397

IUPAC4-amino-2,6-difluoro-N-(1H-imidazol-2-yl)benzenesulfonamide
SMILESNc1cc(F)c(S(=O)(=O)Nc2ncc[nH]2)c(F)c1
InChIInChI=1S/C9H8F2N4O2S/c10-6-3-5(12)4-7(11)8(6)18(16,17)15-9-13-1-2-14-9/h1-4H,12H2,(H2,13,14,15)
InChIKeyDCGGSFSWAHQJLY-UHFFFAOYSA-N
MW274.25 g/mol
LogP1.07
Rot. Bonds3

About 4-amino-2,6-difluoro-N-(1H-imidazol-2-yl)benzenesulfonamide

4-amino-2,6-difluoro-N-(1H-imidazol-2-yl)benzenesulfonamide (PubChem CID 63565397) has the molecular formula C9H8F2N4O2S and a molecular weight of 274.25 g/mol. Its IUPAC name is 4-amino-2,6-difluoro-N-(1H-imidazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-difluoro-N-(1H-imidazol-2-yl)benzenesulfonamide
PubChem CID63565397
Molecular FormulaC9H8F2N4O2S
Molecular Weight274.25 g/mol
Exact Mass274.03
IUPAC Name4-amino-2,6-difluoro-N-(1H-imidazol-2-yl)benzenesulfonamide
SMILESNc1cc(F)c(S(=O)(=O)Nc2ncc[nH]2)c(F)c1
InChIInChI=1S/C9H8F2N4O2S/c10-6-3-5(12)4-7(11)8(6)18(16,17)15-9-13-1-2-14-9/h1-4H,12H2,(H2,13,14,15)
InChIKeyDCGGSFSWAHQJLY-UHFFFAOYSA-N
XLogP1.07
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 51.07
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-2,6-difluoro-N-(1H-imidazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-difluoro-N-(1H-imidazol-2-yl)benzenesulfonamide (CID 63565397) is 4-amino-2,6-difluoro-N-(1H-imidazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-difluoro-N-(1H-imidazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-difluoro-N-(1H-imidazol-2-yl)benzenesulfonamide is Nc1cc(F)c(S(=O)(=O)Nc2ncc[nH]2)c(F)c1.
What is the InChIKey of 4-amino-2,6-difluoro-N-(1H-imidazol-2-yl)benzenesulfonamide?
The InChIKey is DCGGSFSWAHQJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N4O2S/c10-6-3-5(12)4-7(11)8(6)18(16,17)15-9-13-1-2-14-9/h1-4H,12H2,(H2,13,14,15).
What are the key properties of 4-amino-2,6-difluoro-N-(1H-imidazol-2-yl)benzenesulfonamide?
4-amino-2,6-difluoro-N-(1H-imidazol-2-yl)benzenesulfonamide has a molecular weight of 274.25 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-difluoro-N-(1H-imidazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 63565397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).