5-amino-N-(4-fluoro-2-methylphenyl)-3-methylimidazole-4-sulfonamide

C11H13FN4O2S — CID 63978098

IUPAC5-amino-N-(4-fluoro-2-methylphenyl)-3-methylimidazole-4-sulfonamide
SMILESCc1cc(F)ccc1NS(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C11H13FN4O2S/c1-7-5-8(12)3-4-9(7)15-19(17,18)11-10(13)14-6-16(11)2/h3-6,15H,13H2,1-2H3
InChIKeyHGRKFQGFGMODBZ-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.25
Rot. Bonds3

About 5-amino-N-(4-fluoro-2-methylphenyl)-3-methylimidazole-4-sulfonamide

5-amino-N-(4-fluoro-2-methylphenyl)-3-methylimidazole-4-sulfonamide (PubChem CID 63978098) has the molecular formula C11H13FN4O2S and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-amino-N-(4-fluoro-2-methylphenyl)-3-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(4-fluoro-2-methylphenyl)-3-methylimidazole-4-sulfonamide
PubChem CID63978098
Molecular FormulaC11H13FN4O2S
Molecular Weight284.32 g/mol
Exact Mass284.07
IUPAC Name5-amino-N-(4-fluoro-2-methylphenyl)-3-methylimidazole-4-sulfonamide
SMILESCc1cc(F)ccc1NS(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C11H13FN4O2S/c1-7-5-8(12)3-4-9(7)15-19(17,18)11-10(13)14-6-16(11)2/h3-6,15H,13H2,1-2H3
InChIKeyHGRKFQGFGMODBZ-UHFFFAOYSA-N
XLogP1.25
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-fluoro-2-methylphenyl)-3-methylimidazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(4-fluoro-2-methylphenyl)-3-methylimidazole-4-sulfonamide (CID 63978098) is 5-amino-N-(4-fluoro-2-methylphenyl)-3-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(4-fluoro-2-methylphenyl)-3-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(4-fluoro-2-methylphenyl)-3-methylimidazole-4-sulfonamide is Cc1cc(F)ccc1NS(=O)(=O)c1c(N)ncn1C.
What is the InChIKey of 5-amino-N-(4-fluoro-2-methylphenyl)-3-methylimidazole-4-sulfonamide?
The InChIKey is HGRKFQGFGMODBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O2S/c1-7-5-8(12)3-4-9(7)15-19(17,18)11-10(13)14-6-16(11)2/h3-6,15H,13H2,1-2H3.
What are the key properties of 5-amino-N-(4-fluoro-2-methylphenyl)-3-methylimidazole-4-sulfonamide?
5-amino-N-(4-fluoro-2-methylphenyl)-3-methylimidazole-4-sulfonamide has a molecular weight of 284.32 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-fluoro-2-methylphenyl)-3-methylimidazole-4-sulfonamide is sourced from PubChem (CID 63978098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).