N-(3-fluoro-4-methylsulfinylphenyl)-1-methylimidazole-4-sulfonamide

C11H12FN3O3S2 — CID 71927147

IUPACN-(3-fluoro-4-methylsulfinylphenyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(S(C)=O)c(F)c2)c1
InChIInChI=1S/C11H12FN3O3S2/c1-15-6-11(13-7-15)20(17,18)14-8-3-4-10(19(2)16)9(12)5-8/h3-7,14H,1-2H3
InChIKeyGYLJJSZUPQOITC-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.10
Rot. Bonds4

About N-(3-fluoro-4-methylsulfinylphenyl)-1-methylimidazole-4-sulfonamide

N-(3-fluoro-4-methylsulfinylphenyl)-1-methylimidazole-4-sulfonamide (PubChem CID 71927147) has the molecular formula C11H12FN3O3S2 and a molecular weight of 317.37 g/mol. Its IUPAC name is N-(3-fluoro-4-methylsulfinylphenyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylsulfinylphenyl)-1-methylimidazole-4-sulfonamide
PubChem CID71927147
Molecular FormulaC11H12FN3O3S2
Molecular Weight317.37 g/mol
Exact Mass317.03
IUPAC NameN-(3-fluoro-4-methylsulfinylphenyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(S(C)=O)c(F)c2)c1
InChIInChI=1S/C11H12FN3O3S2/c1-15-6-11(13-7-15)20(17,18)14-8-3-4-10(19(2)16)9(12)5-8/h3-7,14H,1-2H3
InChIKeyGYLJJSZUPQOITC-UHFFFAOYSA-N
XLogP1.10
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-1-methylimidazole-4-sulfonamide
CID 46897919
N-(3-cyano-4-fluorophenyl)-1-methylimidazole-4-sulfonamide
CID 62373465
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-1-methylimidazole-4-sulfonamide
CID 104781031
N-(3-hydroxy-4-methylphenyl)-1-methylimidazole-4-sulfonamide
CID 64794060
N-(4-amino-3-chlorophenyl)-1-methylimidazole-4-sulfonamide
CID 55068329
1-methyl-N-(4-phenylphenyl)imidazole-4-sulfonamide
CID 46897915
2-fluoro-N-(3-fluoro-4-methylsulfinylphenyl)-5-methylbenzenesulfonamide
CID 71998236
2-hydroxy-4-[(1-methylimidazol-4-yl)sulfonylamino]benzoic acid
CID 62375790
N-(6-bromo-3-pyridinyl)-1-methylimidazole-4-sulfonamide
CID 103775515
N-[4-(bromomethyl)phenyl]-1-methylimidazole-4-sulfonamide
CID 114296733
N-(4-amino-2-fluorophenyl)-1-methylimidazole-4-sulfonamide
CID 62375279
N-[4-(2-aminoethoxy)phenyl]-1-methylimidazole-4-sulfonamide
CID 62375102

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylsulfinylphenyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(3-fluoro-4-methylsulfinylphenyl)-1-methylimidazole-4-sulfonamide (CID 71927147) is N-(3-fluoro-4-methylsulfinylphenyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(3-fluoro-4-methylsulfinylphenyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(3-fluoro-4-methylsulfinylphenyl)-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2ccc(S(C)=O)c(F)c2)c1.
What is the InChIKey of N-(3-fluoro-4-methylsulfinylphenyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is GYLJJSZUPQOITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O3S2/c1-15-6-11(13-7-15)20(17,18)14-8-3-4-10(19(2)16)9(12)5-8/h3-7,14H,1-2H3.
What are the key properties of N-(3-fluoro-4-methylsulfinylphenyl)-1-methylimidazole-4-sulfonamide?
N-(3-fluoro-4-methylsulfinylphenyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 317.37 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylsulfinylphenyl)-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 71927147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).