N-(4-fluorophenyl)-1-methylimidazole-4-sulfonamide

C10H10FN3O2S — CID 46897919

IUPACN-(4-fluorophenyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C10H10FN3O2S/c1-14-6-10(12-7-14)17(15,16)13-9-4-2-8(11)3-5-9/h2-7,13H,1H3
InChIKeyAXSORTOVFVALJJ-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.36
Rot. Bonds3

About N-(4-fluorophenyl)-1-methylimidazole-4-sulfonamide

N-(4-fluorophenyl)-1-methylimidazole-4-sulfonamide (PubChem CID 46897919) has the molecular formula C10H10FN3O2S and a molecular weight of 255.27 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-methylimidazole-4-sulfonamide
PubChem CID46897919
Molecular FormulaC10H10FN3O2S
Molecular Weight255.27 g/mol
Exact Mass255.05
IUPAC NameN-(4-fluorophenyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C10H10FN3O2S/c1-14-6-10(12-7-14)17(15,16)13-9-4-2-8(11)3-5-9/h2-7,13H,1H3
InChIKeyAXSORTOVFVALJJ-UHFFFAOYSA-N
XLogP1.36
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(4-phenylphenyl)imidazole-4-sulfonamide
CID 46897915
N-(6-bromo-3-pyridinyl)-1-methylimidazole-4-sulfonamide
CID 103775515
N-[4-(bromomethyl)phenyl]-1-methylimidazole-4-sulfonamide
CID 114296733
cyclopropane;ethane;1-methyl-N-(4-propan-2-ylphenyl)imidazole-4-sulfonamide
CID 153363584
N-(3-cyano-4-fluorophenyl)-1-methylimidazole-4-sulfonamide
CID 62373465
N-(3-fluoro-4-methylsulfinylphenyl)-1-methylimidazole-4-sulfonamide
CID 71927147
N-[4-(2-aminoethoxy)phenyl]-1-methylimidazole-4-sulfonamide
CID 62375102
1-methyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide
CID 62373633
N-(3-hydroxy-4-methylphenyl)-1-methylimidazole-4-sulfonamide
CID 64794060
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-1-methylimidazole-4-sulfonamide
CID 62374305
N-(4-amino-3-chlorophenyl)-1-methylimidazole-4-sulfonamide
CID 55068329
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-1-methylimidazole-4-sulfonamide
CID 104781031

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(4-fluorophenyl)-1-methylimidazole-4-sulfonamide (CID 46897919) is N-(4-fluorophenyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of N-(4-fluorophenyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is AXSORTOVFVALJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2S/c1-14-6-10(12-7-14)17(15,16)13-9-4-2-8(11)3-5-9/h2-7,13H,1H3.
What are the key properties of N-(4-fluorophenyl)-1-methylimidazole-4-sulfonamide?
N-(4-fluorophenyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 255.27 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 46897919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).