N-(3-fluoro-4-hydroxyphenyl)-2-methyl-1,3-thiazole-5-sulfonamide

C10H9FN2O3S2 — CID 103414798

IUPACN-(3-fluoro-4-hydroxyphenyl)-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2ccc(O)c(F)c2)s1
InChIInChI=1S/C10H9FN2O3S2/c1-6-12-5-10(17-6)18(15,16)13-7-2-3-9(14)8(11)4-7/h2-5,13-14H,1H3
InChIKeyVKXWVGLGFIXGSI-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.10
Rot. Bonds3

About N-(3-fluoro-4-hydroxyphenyl)-2-methyl-1,3-thiazole-5-sulfonamide

N-(3-fluoro-4-hydroxyphenyl)-2-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 103414798) has the molecular formula C10H9FN2O3S2 and a molecular weight of 288.33 g/mol. Its IUPAC name is N-(3-fluoro-4-hydroxyphenyl)-2-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-hydroxyphenyl)-2-methyl-1,3-thiazole-5-sulfonamide
PubChem CID103414798
Molecular FormulaC10H9FN2O3S2
Molecular Weight288.33 g/mol
Exact Mass288.00
IUPAC NameN-(3-fluoro-4-hydroxyphenyl)-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2ccc(O)c(F)c2)s1
InChIInChI=1S/C10H9FN2O3S2/c1-6-12-5-10(17-6)18(15,16)13-7-2-3-9(14)8(11)4-7/h2-5,13-14H,1H3
InChIKeyVKXWVGLGFIXGSI-UHFFFAOYSA-N
XLogP2.10
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.10
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)-2-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(3-fluoro-4-hydroxyphenyl)-2-methyl-1,3-thiazole-5-sulfonamide (CID 103414798) is N-(3-fluoro-4-hydroxyphenyl)-2-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(3-fluoro-4-hydroxyphenyl)-2-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(3-fluoro-4-hydroxyphenyl)-2-methyl-1,3-thiazole-5-sulfonamide is Cc1ncc(S(=O)(=O)Nc2ccc(O)c(F)c2)s1.
What is the InChIKey of N-(3-fluoro-4-hydroxyphenyl)-2-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is VKXWVGLGFIXGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O3S2/c1-6-12-5-10(17-6)18(15,16)13-7-2-3-9(14)8(11)4-7/h2-5,13-14H,1H3.
What are the key properties of N-(3-fluoro-4-hydroxyphenyl)-2-methyl-1,3-thiazole-5-sulfonamide?
N-(3-fluoro-4-hydroxyphenyl)-2-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 288.33 g/mol, XLogP of 2.10, 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)-2-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103414798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).