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

C10H11FN4O2S — CID 63565436

IUPAC3-(aminomethyl)-4-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2ncc[nH]2)ccc1F
InChIInChI=1S/C10H11FN4O2S/c11-9-2-1-8(5-7(9)6-12)18(16,17)15-10-13-3-4-14-10/h1-5H,6,12H2,(H2,13,14,15)
InChIKeyCHIJAOHQRNEMFN-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.81
Rot. Bonds4

About 3-(aminomethyl)-4-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide

3-(aminomethyl)-4-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide (PubChem CID 63565436) has the molecular formula C10H11FN4O2S and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-(aminomethyl)-4-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-4-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide
PubChem CID63565436
Molecular FormulaC10H11FN4O2S
Molecular Weight270.29 g/mol
Exact Mass270.06
IUPAC Name3-(aminomethyl)-4-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide
SMILESNCc1cc(S(=O)(=O)Nc2ncc[nH]2)ccc1F
InChIInChI=1S/C10H11FN4O2S/c11-9-2-1-8(5-7(9)6-12)18(16,17)15-10-13-3-4-14-10/h1-5H,6,12H2,(H2,13,14,15)
InChIKeyCHIJAOHQRNEMFN-UHFFFAOYSA-N
XLogP0.81
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-4-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide (CID 63565436) is 3-(aminomethyl)-4-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-4-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-4-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide is NCc1cc(S(=O)(=O)Nc2ncc[nH]2)ccc1F.
What is the InChIKey of 3-(aminomethyl)-4-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide?
The InChIKey is CHIJAOHQRNEMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O2S/c11-9-2-1-8(5-7(9)6-12)18(16,17)15-10-13-3-4-14-10/h1-5H,6,12H2,(H2,13,14,15).
What are the key properties of 3-(aminomethyl)-4-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide?
3-(aminomethyl)-4-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide has a molecular weight of 270.29 g/mol, XLogP of 0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-fluoro-N-(1H-imidazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 63565436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).