1-[(2,5-difluorophenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide

C13H15F2N3O2S — CID 81336915

IUPAC1-[(2,5-difluorophenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)c1nc(S(N)(=O)=O)cn1Cc1cc(F)ccc1F
InChIInChI=1S/C13H15F2N3O2S/c1-8(2)13-17-12(21(16,19)20)7-18(13)6-9-5-10(14)3-4-11(9)15/h3-5,7-8H,6H2,1-2H3,(H2,16,19,20)
InChIKeyRFGJJVGNKTUSNA-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.98
Rot. Bonds4

About 1-[(2,5-difluorophenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide

1-[(2,5-difluorophenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide (PubChem CID 81336915) has the molecular formula C13H15F2N3O2S and a molecular weight of 315.35 g/mol. Its IUPAC name is 1-[(2,5-difluorophenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound Name1-[(2,5-difluorophenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide
PubChem CID81336915
Molecular FormulaC13H15F2N3O2S
Molecular Weight315.35 g/mol
Exact Mass315.09
IUPAC Name1-[(2,5-difluorophenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)c1nc(S(N)(=O)=O)cn1Cc1cc(F)ccc1F
InChIInChI=1S/C13H15F2N3O2S/c1-8(2)13-17-12(21(16,19)20)7-18(13)6-9-5-10(14)3-4-11(9)15/h3-5,7-8H,6H2,1-2H3,(H2,16,19,20)
InChIKeyRFGJJVGNKTUSNA-UHFFFAOYSA-N
XLogP1.98
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methylphenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide
CID 81340380
1-[(2-chloro-4-methylphenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide
CID 106871058
1-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazole-4-sulfonamide
CID 103051987
1-[(3,4-dichlorophenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide
CID 81337314
2-propan-2-yl-1-propylimidazole-4-sulfonamide
CID 81340774
2-(2-propan-2-yl-4-sulfamoylimidazol-1-yl)acetic acid
CID 81340289
1-pentyl-2-propan-2-ylimidazole-4-sulfonamide
CID 81340675
1-nonyl-2-propan-2-ylimidazole-4-sulfonamide
CID 81337735
1-(2-methoxyethyl)-2-propan-2-ylimidazole-4-sulfonamide
CID 81341051
1-(3-methoxypropyl)-2-propan-2-ylimidazole-4-sulfonamide
CID 81339724
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-ylimidazole-4-sulfonamide
CID 81340673
1-[(4-chloro-3-fluorophenyl)methyl]-2-propan-2-ylimidazole-4-sulfonyl chloride
CID 107885619

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluorophenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of 1-[(2,5-difluorophenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide (CID 81336915) is 1-[(2,5-difluorophenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for 1-[(2,5-difluorophenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for 1-[(2,5-difluorophenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide is CC(C)c1nc(S(N)(=O)=O)cn1Cc1cc(F)ccc1F.
What is the InChIKey of 1-[(2,5-difluorophenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is RFGJJVGNKTUSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2S/c1-8(2)13-17-12(21(16,19)20)7-18(13)6-9-5-10(14)3-4-11(9)15/h3-5,7-8H,6H2,1-2H3,(H2,16,19,20).
What are the key properties of 1-[(2,5-difluorophenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide?
1-[(2,5-difluorophenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 315.35 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-difluorophenyl)methyl]-2-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 81336915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).