5-chloro-N-(4-fluoro-2-methylphenyl)-1-methylimidazole-4-sulfonamide

C11H11ClFN3O2S — CID 43415219

IUPAC5-chloro-N-(4-fluoro-2-methylphenyl)-1-methylimidazole-4-sulfonamide
SMILESCc1cc(F)ccc1NS(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C11H11ClFN3O2S/c1-7-5-8(13)3-4-9(7)15-19(17,18)11-10(12)16(2)6-14-11/h3-6,15H,1-2H3
InChIKeyALYBDZDRHOSNIT-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.32
Rot. Bonds3

About 5-chloro-N-(4-fluoro-2-methylphenyl)-1-methylimidazole-4-sulfonamide

5-chloro-N-(4-fluoro-2-methylphenyl)-1-methylimidazole-4-sulfonamide (PubChem CID 43415219) has the molecular formula C11H11ClFN3O2S and a molecular weight of 303.75 g/mol. Its IUPAC name is 5-chloro-N-(4-fluoro-2-methylphenyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(4-fluoro-2-methylphenyl)-1-methylimidazole-4-sulfonamide
PubChem CID43415219
Molecular FormulaC11H11ClFN3O2S
Molecular Weight303.75 g/mol
Exact Mass303.02
IUPAC Name5-chloro-N-(4-fluoro-2-methylphenyl)-1-methylimidazole-4-sulfonamide
SMILESCc1cc(F)ccc1NS(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C11H11ClFN3O2S/c1-7-5-8(13)3-4-9(7)15-19(17,18)11-10(12)16(2)6-14-11/h3-6,15H,1-2H3
InChIKeyALYBDZDRHOSNIT-UHFFFAOYSA-N
XLogP2.32
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-fluoro-2-methylphenyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-(4-fluoro-2-methylphenyl)-1-methylimidazole-4-sulfonamide (CID 43415219) is 5-chloro-N-(4-fluoro-2-methylphenyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-(4-fluoro-2-methylphenyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-(4-fluoro-2-methylphenyl)-1-methylimidazole-4-sulfonamide is Cc1cc(F)ccc1NS(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 5-chloro-N-(4-fluoro-2-methylphenyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is ALYBDZDRHOSNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O2S/c1-7-5-8(13)3-4-9(7)15-19(17,18)11-10(12)16(2)6-14-11/h3-6,15H,1-2H3.
What are the key properties of 5-chloro-N-(4-fluoro-2-methylphenyl)-1-methylimidazole-4-sulfonamide?
5-chloro-N-(4-fluoro-2-methylphenyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 303.75 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-fluoro-2-methylphenyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 43415219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).