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

C15H13FN4O2S2 — CID 127044932

IUPAC4-[[4-(4-fluoroanilino)-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc(Nc3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C15H13FN4O2S2/c16-10-1-3-11(4-2-10)18-14-9-23-15(20-14)19-12-5-7-13(8-6-12)24(17,21)22/h1-9,18H,(H,19,20)(H2,17,21,22)
InChIKeyWELOXGYWNUDBGO-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.42
Rot. Bonds5

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

4-[[4-(4-fluoroanilino)-1,3-thiazol-2-yl]amino]benzenesulfonamide (PubChem CID 127044932) has the molecular formula C15H13FN4O2S2 and a molecular weight of 364.43 g/mol. Its IUPAC name is 4-[[4-(4-fluoroanilino)-1,3-thiazol-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(4-fluoroanilino)-1,3-thiazol-2-yl]amino]benzenesulfonamide
PubChem CID127044932
Molecular FormulaC15H13FN4O2S2
Molecular Weight364.43 g/mol
Exact Mass364.05
IUPAC Name4-[[4-(4-fluoroanilino)-1,3-thiazol-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nc(Nc3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C15H13FN4O2S2/c16-10-1-3-11(4-2-10)18-14-9-23-15(20-14)19-12-5-7-13(8-6-12)24(17,21)22/h1-9,18H,(H,19,20)(H2,17,21,22)
InChIKeyWELOXGYWNUDBGO-UHFFFAOYSA-N
XLogP3.42
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-fluoroanilino)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[4-(4-fluoroanilino)-1,3-thiazol-2-yl]amino]benzenesulfonamide (CID 127044932) is 4-[[4-(4-fluoroanilino)-1,3-thiazol-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[4-(4-fluoroanilino)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[4-(4-fluoroanilino)-1,3-thiazol-2-yl]amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2nc(Nc3ccc(F)cc3)cs2)cc1.
What is the InChIKey of 4-[[4-(4-fluoroanilino)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
The InChIKey is WELOXGYWNUDBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2S2/c16-10-1-3-11(4-2-10)18-14-9-23-15(20-14)19-12-5-7-13(8-6-12)24(17,21)22/h1-9,18H,(H,19,20)(H2,17,21,22).
What are the key properties of 4-[[4-(4-fluoroanilino)-1,3-thiazol-2-yl]amino]benzenesulfonamide?
4-[[4-(4-fluoroanilino)-1,3-thiazol-2-yl]amino]benzenesulfonamide has a molecular weight of 364.43 g/mol, XLogP of 3.42, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-fluoroanilino)-1,3-thiazol-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 127044932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).