N-[(4-fluorophenyl)methyl]-N-methylimidazole-1-sulfonamide

C11H12FN3O2S — CID 90436664

IUPACN-[(4-fluorophenyl)methyl]-N-methylimidazole-1-sulfonamide
SMILESCN(Cc1ccc(F)cc1)S(=O)(=O)n1ccnc1
InChIInChI=1S/C11H12FN3O2S/c1-14(8-10-2-4-11(12)5-3-10)18(16,17)15-7-6-13-9-15/h2-7,9H,8H2,1H3
InChIKeyIDYTUUSDMYJRBW-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.25
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-N-methylimidazole-1-sulfonamide

N-[(4-fluorophenyl)methyl]-N-methylimidazole-1-sulfonamide (PubChem CID 90436664) has the molecular formula C11H12FN3O2S and a molecular weight of 269.30 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methylimidazole-1-sulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methylimidazole-1-sulfonamide
PubChem CID90436664
Molecular FormulaC11H12FN3O2S
Molecular Weight269.30 g/mol
Exact Mass269.06
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methylimidazole-1-sulfonamide
SMILESCN(Cc1ccc(F)cc1)S(=O)(=O)n1ccnc1
InChIInChI=1S/C11H12FN3O2S/c1-14(8-10-2-4-11(12)5-3-10)18(16,17)15-7-6-13-9-15/h2-7,9H,8H2,1H3
InChIKeyIDYTUUSDMYJRBW-UHFFFAOYSA-N
XLogP1.25
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(4-fluorophenyl)methyl]-N-methylimidazole-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methylimidazole-1-sulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methylimidazole-1-sulfonamide (CID 90436664) is N-[(4-fluorophenyl)methyl]-N-methylimidazole-1-sulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methylimidazole-1-sulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methylimidazole-1-sulfonamide is CN(Cc1ccc(F)cc1)S(=O)(=O)n1ccnc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methylimidazole-1-sulfonamide?
The InChIKey is IDYTUUSDMYJRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2S/c1-14(8-10-2-4-11(12)5-3-10)18(16,17)15-7-6-13-9-15/h2-7,9H,8H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methylimidazole-1-sulfonamide?
N-[(4-fluorophenyl)methyl]-N-methylimidazole-1-sulfonamide has a molecular weight of 269.30 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methylimidazole-1-sulfonamide is sourced from PubChem (CID 90436664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).