2-fluoro-4-[2-methyl-5-[4-(1,3-thiazol-4-yl)phenyl]-1,3-oxazol-4-yl]benzenesulfonamide

C19H14FN3O3S2 — CID 22316637

IUPAC2-fluoro-4-[2-methyl-5-[4-(1,3-thiazol-4-yl)phenyl]-1,3-oxazol-4-yl]benzenesulfonamide
SMILESCc1nc(-c2ccc(S(N)(=O)=O)c(F)c2)c(-c2ccc(-c3cscn3)cc2)o1
InChIInChI=1S/C19H14FN3O3S2/c1-11-23-18(14-6-7-17(15(20)8-14)28(21,24)25)19(26-11)13-4-2-12(3-5-13)16-9-27-10-22-16/h2-10H,1H3,(H2,21,24,25)
InChIKeyQTOUEFQYGGSRIB-UHFFFAOYSA-N
MW415.47 g/mol
LogP4.23
Rot. Bonds4

About 2-fluoro-4-[2-methyl-5-[4-(1,3-thiazol-4-yl)phenyl]-1,3-oxazol-4-yl]benzenesulfonamide

2-fluoro-4-[2-methyl-5-[4-(1,3-thiazol-4-yl)phenyl]-1,3-oxazol-4-yl]benzenesulfonamide (PubChem CID 22316637) has the molecular formula C19H14FN3O3S2 and a molecular weight of 415.47 g/mol. Its IUPAC name is 2-fluoro-4-[2-methyl-5-[4-(1,3-thiazol-4-yl)phenyl]-1,3-oxazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4-[2-methyl-5-[4-(1,3-thiazol-4-yl)phenyl]-1,3-oxazol-4-yl]benzenesulfonamide
PubChem CID22316637
Molecular FormulaC19H14FN3O3S2
Molecular Weight415.47 g/mol
Exact Mass415.05
IUPAC Name2-fluoro-4-[2-methyl-5-[4-(1,3-thiazol-4-yl)phenyl]-1,3-oxazol-4-yl]benzenesulfonamide
SMILESCc1nc(-c2ccc(S(N)(=O)=O)c(F)c2)c(-c2ccc(-c3cscn3)cc2)o1
InChIInChI=1S/C19H14FN3O3S2/c1-11-23-18(14-6-7-17(15(20)8-14)28(21,24)25)19(26-11)13-4-2-12(3-5-13)16-9-27-10-22-16/h2-10H,1H3,(H2,21,24,25)
InChIKeyQTOUEFQYGGSRIB-UHFFFAOYSA-N
XLogP4.23
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[2-methyl-5-[4-(1,3-thiazol-4-yl)phenyl]-1,3-oxazol-4-yl]benzenesulfonamide?
The IUPAC name of 2-fluoro-4-[2-methyl-5-[4-(1,3-thiazol-4-yl)phenyl]-1,3-oxazol-4-yl]benzenesulfonamide (CID 22316637) is 2-fluoro-4-[2-methyl-5-[4-(1,3-thiazol-4-yl)phenyl]-1,3-oxazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-4-[2-methyl-5-[4-(1,3-thiazol-4-yl)phenyl]-1,3-oxazol-4-yl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-4-[2-methyl-5-[4-(1,3-thiazol-4-yl)phenyl]-1,3-oxazol-4-yl]benzenesulfonamide is Cc1nc(-c2ccc(S(N)(=O)=O)c(F)c2)c(-c2ccc(-c3cscn3)cc2)o1.
What is the InChIKey of 2-fluoro-4-[2-methyl-5-[4-(1,3-thiazol-4-yl)phenyl]-1,3-oxazol-4-yl]benzenesulfonamide?
The InChIKey is QTOUEFQYGGSRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O3S2/c1-11-23-18(14-6-7-17(15(20)8-14)28(21,24)25)19(26-11)13-4-2-12(3-5-13)16-9-27-10-22-16/h2-10H,1H3,(H2,21,24,25).
What are the key properties of 2-fluoro-4-[2-methyl-5-[4-(1,3-thiazol-4-yl)phenyl]-1,3-oxazol-4-yl]benzenesulfonamide?
2-fluoro-4-[2-methyl-5-[4-(1,3-thiazol-4-yl)phenyl]-1,3-oxazol-4-yl]benzenesulfonamide has a molecular weight of 415.47 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[2-methyl-5-[4-(1,3-thiazol-4-yl)phenyl]-1,3-oxazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 22316637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).