N-(2,4-dihydroxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-sulfonamide

C15H11FN2O4S2 — CID 167475542

IUPACN-(2,4-dihydroxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(O)cc1O)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H11FN2O4S2/c16-10-3-1-9(2-4-10)15-17-14(8-23-15)24(21,22)18-12-6-5-11(19)7-13(12)20/h1-8,18-20H
InChIKeyWLFFYKWPLUIQTI-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.16
Rot. Bonds4

About N-(2,4-dihydroxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-sulfonamide

N-(2,4-dihydroxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-sulfonamide (PubChem CID 167475542) has the molecular formula C15H11FN2O4S2 and a molecular weight of 366.40 g/mol. Its IUPAC name is N-(2,4-dihydroxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dihydroxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-sulfonamide
PubChem CID167475542
Molecular FormulaC15H11FN2O4S2
Molecular Weight366.40 g/mol
Exact Mass366.01
IUPAC NameN-(2,4-dihydroxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(O)cc1O)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H11FN2O4S2/c16-10-3-1-9(2-4-10)15-17-14(8-23-15)24(21,22)18-12-6-5-11(19)7-13(12)20/h1-8,18-20H
InChIKeyWLFFYKWPLUIQTI-UHFFFAOYSA-N
XLogP3.16
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-N-(4-hydroxyphenyl)-1,3-thiazole-4-sulfonamide
CID 167476558
5-fluoro-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid
CID 51131753
4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-hydroxybenzoic acid
CID 167476238
3-cyclopropyl-4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid
CID 167476003
4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-3-methoxy-N-methylsulfonylbenzamide
CID 167475461
4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-N-hydroxy-3-methoxy-N-methylbenzamide
CID 167476420
2-(4-fluorophenyl)-N-[2-methoxy-5-methyl-4-(methylsulfamoyl)phenyl]-1,3-thiazole-4-sulfonamide
CID 167476455
4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-methoxybenzoic acid
CID 168726509
2-fluoro-5-methoxy-4-[[2-(4-thiophen-2-ylphenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid
CID 167476080
1-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonyl]piperidine-4-carboxylic acid
CID 167475876
4-[[2-(2-fluoro-4-phenylphenyl)-1,3-thiazol-4-yl]sulfonylamino]-3-methoxybenzoic acid
CID 167476801
4-[(2-phenyl-1,3-thiazol-4-yl)sulfonylamino]benzoic acid
CID 167475368

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dihydroxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-sulfonamide?
The IUPAC name of N-(2,4-dihydroxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-sulfonamide (CID 167475542) is N-(2,4-dihydroxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-sulfonamide.
What is the SMILES notation for N-(2,4-dihydroxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-sulfonamide?
The canonical SMILES for N-(2,4-dihydroxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-sulfonamide is O=S(=O)(Nc1ccc(O)cc1O)c1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of N-(2,4-dihydroxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-sulfonamide?
The InChIKey is WLFFYKWPLUIQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O4S2/c16-10-3-1-9(2-4-10)15-17-14(8-23-15)24(21,22)18-12-6-5-11(19)7-13(12)20/h1-8,18-20H.
What are the key properties of N-(2,4-dihydroxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-sulfonamide?
N-(2,4-dihydroxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-sulfonamide has a molecular weight of 366.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dihydroxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-sulfonamide is sourced from PubChem (CID 167475542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).