N-(4-fluorophenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide

C13H16FN3O2S — CID 71998233

IUPACN-(4-fluorophenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide
SMILESCC(C)c1ncc(S(=O)(=O)N(C)c2ccc(F)cc2)[nH]1
InChIInChI=1S/C13H16FN3O2S/c1-9(2)13-15-8-12(16-13)20(18,19)17(3)11-6-4-10(14)5-7-11/h4-9H,1-3H3,(H,15,16)
InChIKeyPPTJWCVTJMAHHK-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.50
Rot. Bonds4

About N-(4-fluorophenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide

N-(4-fluorophenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide (PubChem CID 71998233) has the molecular formula C13H16FN3O2S and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide
PubChem CID71998233
Molecular FormulaC13H16FN3O2S
Molecular Weight297.36 g/mol
Exact Mass297.09
IUPAC NameN-(4-fluorophenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide
SMILESCC(C)c1ncc(S(=O)(=O)N(C)c2ccc(F)cc2)[nH]1
InChIInChI=1S/C13H16FN3O2S/c1-9(2)13-15-8-12(16-13)20(18,19)17(3)11-6-4-10(14)5-7-11/h4-9H,1-3H3,(H,15,16)
InChIKeyPPTJWCVTJMAHHK-UHFFFAOYSA-N
XLogP2.50
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(4-fluorophenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide (CID 71998233) is N-(4-fluorophenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide is CC(C)c1ncc(S(=O)(=O)N(C)c2ccc(F)cc2)[nH]1.
What is the InChIKey of N-(4-fluorophenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide?
The InChIKey is PPTJWCVTJMAHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2S/c1-9(2)13-15-8-12(16-13)20(18,19)17(3)11-6-4-10(14)5-7-11/h4-9H,1-3H3,(H,15,16).
What are the key properties of N-(4-fluorophenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide?
N-(4-fluorophenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide has a molecular weight of 297.36 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-methyl-2-propan-2-yl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 71998233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).