4-fluoro-3-methyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzenesulfonamide

C14H12FN3O3S2 — CID 22432461

IUPAC4-fluoro-3-methyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2c(C)nc3sccn3c2=O)ccc1F
InChIInChI=1S/C14H12FN3O3S2/c1-8-7-10(3-4-11(8)15)23(20,21)17-12-9(2)16-14-18(13(12)19)5-6-22-14/h3-7,17H,1-2H3
InChIKeySPXPFESXDMLLKR-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.31
Rot. Bonds3

About 4-fluoro-3-methyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzenesulfonamide

4-fluoro-3-methyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzenesulfonamide (PubChem CID 22432461) has the molecular formula C14H12FN3O3S2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzenesulfonamide
PubChem CID22432461
Molecular FormulaC14H12FN3O3S2
Molecular Weight353.40 g/mol
Exact Mass353.03
IUPAC Name4-fluoro-3-methyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2c(C)nc3sccn3c2=O)ccc1F
InChIInChI=1S/C14H12FN3O3S2/c1-8-7-10(3-4-11(8)15)23(20,21)17-12-9(2)16-14-18(13(12)19)5-6-22-14/h3-7,17H,1-2H3
InChIKeySPXPFESXDMLLKR-UHFFFAOYSA-N
XLogP2.31
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzenesulfonamide (CID 22432461) is 4-fluoro-3-methyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2c(C)nc3sccn3c2=O)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzenesulfonamide?
The InChIKey is SPXPFESXDMLLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O3S2/c1-8-7-10(3-4-11(8)15)23(20,21)17-12-9(2)16-14-18(13(12)19)5-6-22-14/h3-7,17H,1-2H3.
What are the key properties of 4-fluoro-3-methyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzenesulfonamide?
4-fluoro-3-methyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzenesulfonamide has a molecular weight of 353.40 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzenesulfonamide is sourced from PubChem (CID 22432461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).