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

C15H11FN2O3S2 — CID 167476558

IUPAC2-(4-fluorophenyl)-N-(4-hydroxyphenyl)-1,3-thiazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(O)cc1)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H11FN2O3S2/c16-11-3-1-10(2-4-11)15-17-14(9-22-15)23(20,21)18-12-5-7-13(19)8-6-12/h1-9,18-19H
InChIKeyQADXZGQGRYJIER-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.46
Rot. Bonds4

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

2-(4-fluorophenyl)-N-(4-hydroxyphenyl)-1,3-thiazole-4-sulfonamide (PubChem CID 167476558) has the molecular formula C15H11FN2O3S2 and a molecular weight of 350.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(4-hydroxyphenyl)-1,3-thiazole-4-sulfonamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(4-hydroxyphenyl)-1,3-thiazole-4-sulfonamide
PubChem CID167476558
Molecular FormulaC15H11FN2O3S2
Molecular Weight350.40 g/mol
Exact Mass350.02
IUPAC Name2-(4-fluorophenyl)-N-(4-hydroxyphenyl)-1,3-thiazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(O)cc1)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H11FN2O3S2/c16-11-3-1-10(2-4-11)15-17-14(9-22-15)23(20,21)18-12-5-7-13(19)8-6-12/h1-9,18-19H
InChIKeyQADXZGQGRYJIER-UHFFFAOYSA-N
XLogP3.46
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.46
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-(2,4-dihydroxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-4-sulfonamide
CID 167475542
4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-hydroxybenzoic acid
CID 167476238
4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-methoxybenzoic acid
CID 168726509
5-fluoro-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]benzoic acid
CID 51131753
4-[(2-phenyl-1,3-thiazol-4-yl)sulfonylamino]benzoic acid
CID 167475368
4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide
CID 764850
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-fluorobenzenesulfonamide
CID 108784162
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
2-fluoro-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286327

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(4-hydroxyphenyl)-1,3-thiazole-4-sulfonamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(4-hydroxyphenyl)-1,3-thiazole-4-sulfonamide (CID 167476558) is 2-(4-fluorophenyl)-N-(4-hydroxyphenyl)-1,3-thiazole-4-sulfonamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(4-hydroxyphenyl)-1,3-thiazole-4-sulfonamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(4-hydroxyphenyl)-1,3-thiazole-4-sulfonamide is O=S(=O)(Nc1ccc(O)cc1)c1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(4-hydroxyphenyl)-1,3-thiazole-4-sulfonamide?
The InChIKey is QADXZGQGRYJIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O3S2/c16-11-3-1-10(2-4-11)15-17-14(9-22-15)23(20,21)18-12-5-7-13(19)8-6-12/h1-9,18-19H.
What are the key properties of 2-(4-fluorophenyl)-N-(4-hydroxyphenyl)-1,3-thiazole-4-sulfonamide?
2-(4-fluorophenyl)-N-(4-hydroxyphenyl)-1,3-thiazole-4-sulfonamide has a molecular weight of 350.40 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(4-hydroxyphenyl)-1,3-thiazole-4-sulfonamide is sourced from PubChem (CID 167476558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).