5-amino-2-fluoro-N-(1H-imidazol-2-yl)-3-methylbenzenesulfonamide

C10H11FN4O2S — CID 80645994

IUPAC5-amino-2-fluoro-N-(1H-imidazol-2-yl)-3-methylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)Nc2ncc[nH]2)c1F
InChIInChI=1S/C10H11FN4O2S/c1-6-4-7(12)5-8(9(6)11)18(16,17)15-10-13-2-3-14-10/h2-5H,12H2,1H3,(H2,13,14,15)
InChIKeyMDYUFGCEADPOJU-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.24
Rot. Bonds3

About 5-amino-2-fluoro-N-(1H-imidazol-2-yl)-3-methylbenzenesulfonamide

5-amino-2-fluoro-N-(1H-imidazol-2-yl)-3-methylbenzenesulfonamide (PubChem CID 80645994) has the molecular formula C10H11FN4O2S and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-(1H-imidazol-2-yl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-(1H-imidazol-2-yl)-3-methylbenzenesulfonamide
PubChem CID80645994
Molecular FormulaC10H11FN4O2S
Molecular Weight270.29 g/mol
Exact Mass270.06
IUPAC Name5-amino-2-fluoro-N-(1H-imidazol-2-yl)-3-methylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)Nc2ncc[nH]2)c1F
InChIInChI=1S/C10H11FN4O2S/c1-6-4-7(12)5-8(9(6)11)18(16,17)15-10-13-2-3-14-10/h2-5H,12H2,1H3,(H2,13,14,15)
InChIKeyMDYUFGCEADPOJU-UHFFFAOYSA-N
XLogP1.24
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.24
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 5-amino-2-fluoro-N-(1H-imidazol-2-yl)-3-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-fluoro-N-(1H-imidazol-2-yl)-3-methylbenzenesulfonamide (CID 80645994) is 5-amino-2-fluoro-N-(1H-imidazol-2-yl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-fluoro-N-(1H-imidazol-2-yl)-3-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-fluoro-N-(1H-imidazol-2-yl)-3-methylbenzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)Nc2ncc[nH]2)c1F.
What is the InChIKey of 5-amino-2-fluoro-N-(1H-imidazol-2-yl)-3-methylbenzenesulfonamide?
The InChIKey is MDYUFGCEADPOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O2S/c1-6-4-7(12)5-8(9(6)11)18(16,17)15-10-13-2-3-14-10/h2-5H,12H2,1H3,(H2,13,14,15).
What are the key properties of 5-amino-2-fluoro-N-(1H-imidazol-2-yl)-3-methylbenzenesulfonamide?
5-amino-2-fluoro-N-(1H-imidazol-2-yl)-3-methylbenzenesulfonamide has a molecular weight of 270.29 g/mol, XLogP of 1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-(1H-imidazol-2-yl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 80645994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).