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

C11H12FN3O3S — CID 63677623

IUPACN-(4-fluoro-2-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)Nc2ccc(F)cc2O)cn1C
InChIInChI=1S/C11H12FN3O3S/c1-7-13-11(6-15(7)2)19(17,18)14-9-4-3-8(12)5-10(9)16/h3-6,14,16H,1-2H3
InChIKeyUNRFSKQAEVVUBM-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.37
Rot. Bonds3

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

N-(4-fluoro-2-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 63677623) has the molecular formula C11H12FN3O3S and a molecular weight of 285.30 g/mol. Its IUPAC name is N-(4-fluoro-2-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-2-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide
PubChem CID63677623
Molecular FormulaC11H12FN3O3S
Molecular Weight285.30 g/mol
Exact Mass285.06
IUPAC NameN-(4-fluoro-2-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)Nc2ccc(F)cc2O)cn1C
InChIInChI=1S/C11H12FN3O3S/c1-7-13-11(6-15(7)2)19(17,18)14-9-4-3-8(12)5-10(9)16/h3-6,14,16H,1-2H3
InChIKeyUNRFSKQAEVVUBM-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': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-(4-fluoro-2-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide (CID 63677623) is N-(4-fluoro-2-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(4-fluoro-2-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-(4-fluoro-2-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide is Cc1nc(S(=O)(=O)Nc2ccc(F)cc2O)cn1C.
What is the InChIKey of N-(4-fluoro-2-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is UNRFSKQAEVVUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O3S/c1-7-13-11(6-15(7)2)19(17,18)14-9-4-3-8(12)5-10(9)16/h3-6,14,16H,1-2H3.
What are the key properties of N-(4-fluoro-2-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide?
N-(4-fluoro-2-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-(4-fluoro-2-hydroxyphenyl)-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 63677623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).