4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide

C15H12FN3O2S2 — CID 973022

IUPAC4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc(-c3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C15H12FN3O2S2/c16-11-3-1-10(2-4-11)14-9-22-15(19-14)18-12-5-7-13(8-6-12)23(17,20)21/h1-9H,(H,18,19)(H2,17,20,21)
InChIKeyUITMFWHKWOCVFI-UHFFFAOYSA-N
MW349.41 g/mol
LogP3.34
Rot. Bonds4

About 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide

4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide (PubChem CID 973022) has the molecular formula C15H12FN3O2S2 and a molecular weight of 349.41 g/mol. Its IUPAC name is 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
PubChem CID973022
Molecular FormulaC15H12FN3O2S2
Molecular Weight349.41 g/mol
Exact Mass349.04
IUPAC Name4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc(-c3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C15H12FN3O2S2/c16-11-3-1-10(2-4-11)14-9-22-15(19-14)18-12-5-7-13(8-6-12)23(17,20)21/h1-9H,(H,18,19)(H2,17,20,21)
InChIKeyUITMFWHKWOCVFI-UHFFFAOYSA-N
XLogP3.34
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-Pyridin-3-yl-thiazol-2-ylamino)-benzenesulfonamide
CID 3120504
N-aryl-4-aryl-1,3-thiazole-2-amine, 25
CID 972657
N-aryl-4-aryl-1,3-thiazole-2-amine, 32
CID 25101200
2-(p-Aminoanilino)-4-phenyl-thiazole
CID 697284
4-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 897841
4-(4-Fluorophenyl)-N-phenyl-1,3-thiazol-2-amine
CID 1284592
N-Phenyl-N'-(4-phenyl-2-thiazolyl)urea
CID 832542
4-(2',4'-Dimethyl-[4,5']bithiazolyl-2-ylamino)-benzenesulfonamide
CID 1632898
4-[(4-octyl-1,3-thiazol-2-yl)amino]-N-phenylbenzene-1-sulfonamide
CID 44298787
4-[[4-(4-Fluoroanilino)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 127044932
4-[[2-(4-Sulfamoylanilino)-1,3-thiazol-4-yl]amino]benzenesulfonamide
CID 127045237
4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 748055

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide (CID 973022) is 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2nc(-c3ccc(F)cc3)cs2)cc1.
What is the InChIKey of 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The InChIKey is UITMFWHKWOCVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S2/c16-11-3-1-10(2-4-11)14-9-22-15(19-14)18-12-5-7-13(8-6-12)23(17,20)21/h1-9H,(H,18,19)(H2,17,20,21).
What are the key properties of 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide has a molecular weight of 349.41 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 973022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).