2-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C19H14FN3O3S3 — CID 59436597

IUPAC2-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1nc(-c2ccccc2Oc2ccc(S(=O)(=O)Nc3nccs3)c(F)c2)cs1
InChIInChI=1S/C19H14FN3O3S3/c1-12-22-16(11-28-12)14-4-2-3-5-17(14)26-13-6-7-18(15(20)10-13)29(24,25)23-19-21-8-9-27-19/h2-11H,1H3,(H,21,23)
InChIKeyGVNQOSHOAOUTGR-UHFFFAOYSA-N
MW447.54 g/mol
LogP5.31
Rot. Bonds6

About 2-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide

2-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 59436597) has the molecular formula C19H14FN3O3S3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 2-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID59436597
Molecular FormulaC19H14FN3O3S3
Molecular Weight447.54 g/mol
Exact Mass447.02
IUPAC Name2-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1nc(-c2ccccc2Oc2ccc(S(=O)(=O)Nc3nccs3)c(F)c2)cs1
InChIInChI=1S/C19H14FN3O3S3/c1-12-22-16(11-28-12)14-4-2-3-5-17(14)26-13-6-7-18(15(20)10-13)29(24,25)23-19-21-8-9-27-19/h2-11H,1H3,(H,21,23)
InChIKeyGVNQOSHOAOUTGR-UHFFFAOYSA-N
XLogP5.31
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 59436597) is 2-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide is Cc1nc(-c2ccccc2Oc2ccc(S(=O)(=O)Nc3nccs3)c(F)c2)cs1.
What is the InChIKey of 2-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is GVNQOSHOAOUTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O3S3/c1-12-22-16(11-28-12)14-4-2-3-5-17(14)26-13-6-7-18(15(20)10-13)29(24,25)23-19-21-8-9-27-19/h2-11H,1H3,(H,21,23).
What are the key properties of 2-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
2-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 447.54 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 59436597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).