2-methyl-4-oxo-3-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-sulfonamide

C14H10F3N3O3S2 — CID 19892054

IUPAC2-methyl-4-oxo-3-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-sulfonamide
SMILESCc1nc2sc(S(N)(=O)=O)cc2c(=O)n1-c1ccccc1C(F)(F)F
InChIInChI=1S/C14H10F3N3O3S2/c1-7-19-12-8(6-11(24-12)25(18,22)23)13(21)20(7)10-5-3-2-4-9(10)14(15,16)17/h2-6H,1H3,(H2,18,22,23)
InChIKeyNFZGKTMHWRFBPT-UHFFFAOYSA-N
MW389.38 g/mol
LogP2.42
Rot. Bonds2

About 2-methyl-4-oxo-3-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-sulfonamide

2-methyl-4-oxo-3-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-sulfonamide (PubChem CID 19892054) has the molecular formula C14H10F3N3O3S2 and a molecular weight of 389.38 g/mol. Its IUPAC name is 2-methyl-4-oxo-3-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-sulfonamide.

Molecular Properties

Compound Name2-methyl-4-oxo-3-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-sulfonamide
PubChem CID19892054
Molecular FormulaC14H10F3N3O3S2
Molecular Weight389.38 g/mol
Exact Mass389.01
IUPAC Name2-methyl-4-oxo-3-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-sulfonamide
SMILESCc1nc2sc(S(N)(=O)=O)cc2c(=O)n1-c1ccccc1C(F)(F)F
InChIInChI=1S/C14H10F3N3O3S2/c1-7-19-12-8(6-11(24-12)25(18,22)23)13(21)20(7)10-5-3-2-4-9(10)14(15,16)17/h2-6H,1H3,(H2,18,22,23)
InChIKeyNFZGKTMHWRFBPT-UHFFFAOYSA-N
XLogP2.42
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-oxo-3-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-sulfonamide?
The IUPAC name of 2-methyl-4-oxo-3-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-sulfonamide (CID 19892054) is 2-methyl-4-oxo-3-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-sulfonamide.
What is the SMILES notation for 2-methyl-4-oxo-3-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-sulfonamide?
The canonical SMILES for 2-methyl-4-oxo-3-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-sulfonamide is Cc1nc2sc(S(N)(=O)=O)cc2c(=O)n1-c1ccccc1C(F)(F)F.
What is the InChIKey of 2-methyl-4-oxo-3-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-sulfonamide?
The InChIKey is NFZGKTMHWRFBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O3S2/c1-7-19-12-8(6-11(24-12)25(18,22)23)13(21)20(7)10-5-3-2-4-9(10)14(15,16)17/h2-6H,1H3,(H2,18,22,23).
What are the key properties of 2-methyl-4-oxo-3-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-sulfonamide?
2-methyl-4-oxo-3-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-sulfonamide has a molecular weight of 389.38 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-oxo-3-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-sulfonamide is sourced from PubChem (CID 19892054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).