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

C10H10FN3O3S — CID 64780715

IUPACN-(3-fluoro-4-hydroxyphenyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(O)c(F)c2)c1
InChIInChI=1S/C10H10FN3O3S/c1-14-5-10(12-6-14)18(16,17)13-7-2-3-9(15)8(11)4-7/h2-6,13,15H,1H3
InChIKeyIMFQMOYYKOHKEP-UHFFFAOYSA-N
MW271.27 g/mol
LogP1.07
Rot. Bonds3

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

N-(3-fluoro-4-hydroxyphenyl)-1-methylimidazole-4-sulfonamide (PubChem CID 64780715) has the molecular formula C10H10FN3O3S and a molecular weight of 271.27 g/mol. Its IUPAC name is N-(3-fluoro-4-hydroxyphenyl)-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-hydroxyphenyl)-1-methylimidazole-4-sulfonamide
PubChem CID64780715
Molecular FormulaC10H10FN3O3S
Molecular Weight271.27 g/mol
Exact Mass271.04
IUPAC NameN-(3-fluoro-4-hydroxyphenyl)-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(O)c(F)c2)c1
InChIInChI=1S/C10H10FN3O3S/c1-14-5-10(12-6-14)18(16,17)13-7-2-3-9(15)8(11)4-7/h2-6,13,15H,1H3
InChIKeyIMFQMOYYKOHKEP-UHFFFAOYSA-N
XLogP1.07
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 51.07
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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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-hydroxyphenyl)-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(3-fluoro-4-hydroxyphenyl)-1-methylimidazole-4-sulfonamide (CID 64780715) is N-(3-fluoro-4-hydroxyphenyl)-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(3-fluoro-4-hydroxyphenyl)-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(3-fluoro-4-hydroxyphenyl)-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2ccc(O)c(F)c2)c1.
What is the InChIKey of N-(3-fluoro-4-hydroxyphenyl)-1-methylimidazole-4-sulfonamide?
The InChIKey is IMFQMOYYKOHKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O3S/c1-14-5-10(12-6-14)18(16,17)13-7-2-3-9(15)8(11)4-7/h2-6,13,15H,1H3.
What are the key properties of N-(3-fluoro-4-hydroxyphenyl)-1-methylimidazole-4-sulfonamide?
N-(3-fluoro-4-hydroxyphenyl)-1-methylimidazole-4-sulfonamide has a molecular weight of 271.27 g/mol, XLogP of 1.07, 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-methylimidazole-4-sulfonamide is sourced from PubChem (CID 64780715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).