N-(3-fluoro-4-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide

C11H12FN3O3S — CID 64780714

IUPACN-(3-fluoro-4-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)Nc2ccc(O)c(F)c2)cn1C
InChIInChI=1S/C11H12FN3O3S/c1-7-13-11(6-15(7)2)19(17,18)14-8-3-4-10(16)9(12)5-8/h3-6,14,16H,1-2H3
InChIKeyQIMGQCGZYDBDSK-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.37
Rot. Bonds3

About N-(3-fluoro-4-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide

N-(3-fluoro-4-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 64780714) has the molecular formula C11H12FN3O3S and a molecular weight of 285.30 g/mol. Its IUPAC name is N-(3-fluoro-4-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide
PubChem CID64780714
Molecular FormulaC11H12FN3O3S
Molecular Weight285.30 g/mol
Exact Mass285.06
IUPAC NameN-(3-fluoro-4-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)Nc2ccc(O)c(F)c2)cn1C
InChIInChI=1S/C11H12FN3O3S/c1-7-13-11(6-15(7)2)19(17,18)14-8-3-4-10(16)9(12)5-8/h3-6,14,16H,1-2H3
InChIKeyQIMGQCGZYDBDSK-UHFFFAOYSA-N
XLogP1.37
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-1-methyl-1H-imidazole-4-sulfonamide
CID 2815194
1-methyl-N-[4-(trifluoromethoxy)phenyl]imidazole-4-sulfonamide
CID 2821584
N-(2-methoxyphenyl)-1,2-dimethyl-1H-imidazole-4-sulfonamide
CID 16029227
N-(4-methoxyphenyl)-1-methyl-1H-imidazole-4-sulfonamide
CID 2821590
Piperazine, 1-(4-hydroxyphenyl)-4-((1-methyl-1H-imidazol-4-yl)sulfonyl)-
CID 3071454
N-(3-methoxyphenyl)-1,2-dimethyl-1H-imidazole-4-sulfonamide
CID 46351373
1-methyl-N-[4-(trifluoromethoxy)phenyl]imidazole-2-sulfonamide
CID 46897903
2-chloro-N-(3,5-difluoro-4-methoxyphenyl)-1-methylimidazole-4-sulfonamide
CID 71851999
3-Fluoro-4-(2-methylimidazol-1-yl)phenol
CID 57011495
2-Fluoro-4-(2-methylsulfonylimidazol-1-yl)phenol
CID 58394115
3-[(1Z,3E)-1-amino-2-chloro-4-(trifluoromethyl)hexa-1,3,5-trienyl]-N-(4-methoxyphenyl)imidazole-4-sulfonamide
CID 89024484
N-(4-(4-Hydroxyphenyl)piperazino)-5-chloro-1-methyl-4-imidazolesulfonamide
CID 15100258

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-(3-fluoro-4-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide (CID 64780714) is N-(3-fluoro-4-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(3-fluoro-4-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-(3-fluoro-4-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide is Cc1nc(S(=O)(=O)Nc2ccc(O)c(F)c2)cn1C.
What is the InChIKey of N-(3-fluoro-4-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is QIMGQCGZYDBDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O3S/c1-7-13-11(6-15(7)2)19(17,18)14-8-3-4-10(16)9(12)5-8/h3-6,14,16H,1-2H3.
What are the key properties of N-(3-fluoro-4-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide?
N-(3-fluoro-4-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 285.30 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 64780714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).