N-(3-chloro-4-fluorophenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide

C14H11ClFN3O3S2 — CID 22432776

IUPACN-(3-chloro-4-fluorophenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCc1nc2scc(C)n2c(=O)c1S(=O)(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H11ClFN3O3S2/c1-7-6-23-14-17-8(2)12(13(20)19(7)14)24(21,22)18-9-3-4-11(16)10(15)5-9/h3-6,18H,1-2H3
InChIKeyVOJAKCZMIKAIHY-UHFFFAOYSA-N
MW387.85 g/mol
LogP2.97
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide

N-(3-chloro-4-fluorophenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide (PubChem CID 22432776) has the molecular formula C14H11ClFN3O3S2 and a molecular weight of 387.85 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
PubChem CID22432776
Molecular FormulaC14H11ClFN3O3S2
Molecular Weight387.85 g/mol
Exact Mass386.99
IUPAC NameN-(3-chloro-4-fluorophenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
SMILESCc1nc2scc(C)n2c(=O)c1S(=O)(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H11ClFN3O3S2/c1-7-6-23-14-17-8(2)12(13(20)19(7)14)24(21,22)18-9-3-4-11(16)10(15)5-9/h3-6,18H,1-2H3
InChIKeyVOJAKCZMIKAIHY-UHFFFAOYSA-N
XLogP2.97
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.85
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-chloro-4-fluorophenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide with MolForge

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Related Compounds

N-(3-chloro-4-methylphenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 22432189
N-(3-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 2683530
N-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 53076151
N-(3-chloro-4-morpholin-4-ylphenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 15990182
N-(3,4-dimethylphenyl)-2-methyl-4-oxopyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide
CID 46298002
N-(3-chloro-4-fluorophenyl)-5-methylthiophene-2-sulfonamide
CID 18191076
3-amino-N-(3-chloro-4-fluorophenyl)-2,6-dimethylbenzenesulfonamide
CID 43258685
N-(3-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930110
N-(3-chloro-4-fluorophenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
CID 46380261
N-(3-chloro-4-fluorophenyl)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,2,5-trimethylpyrrole-3-sulfonamide
CID 53155143
N-(3-chloro-4-fluorophenyl)-5-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylpyrrole-3-sulfonamide
CID 53035553
2,8-dimethyl-4-oxo-N-(4-propan-2-ylphenyl)pyrimido[2,1-b][1,3]benzothiazole-3-sulfonamide
CID 46298030

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide (CID 22432776) is N-(3-chloro-4-fluorophenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide is Cc1nc2scc(C)n2c(=O)c1S(=O)(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
The InChIKey is VOJAKCZMIKAIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3O3S2/c1-7-6-23-14-17-8(2)12(13(20)19(7)14)24(21,22)18-9-3-4-11(16)10(15)5-9/h3-6,18H,1-2H3.
What are the key properties of N-(3-chloro-4-fluorophenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide?
N-(3-chloro-4-fluorophenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide has a molecular weight of 387.85 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide is sourced from PubChem (CID 22432776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).