N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-1,3-dimethylpyrazole-4-sulfonamide

C11H15N5O4S — CID 42282260

IUPACN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)Nc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C11H15N5O4S/c1-7-8(6-14(2)12-7)21(19,20)13-9-5-10(17)16(4)11(18)15(9)3/h5-6,13H,1-4H3
InChIKeyDSHAMWLFQARCKW-UHFFFAOYSA-N
MW313.34 g/mol
LogP-1.07
Rot. Bonds3

About N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-1,3-dimethylpyrazole-4-sulfonamide

N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 42282260) has the molecular formula C11H15N5O4S and a molecular weight of 313.34 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID42282260
Molecular FormulaC11H15N5O4S
Molecular Weight313.34 g/mol
Exact Mass313.08
IUPAC NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)Nc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C11H15N5O4S/c1-7-8(6-14(2)12-7)21(19,20)13-9-5-10(17)16(4)11(18)15(9)3/h5-6,13H,1-4H3
InChIKeyDSHAMWLFQARCKW-UHFFFAOYSA-N
XLogP-1.07
TPSA107.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-1,3-dimethylpyrazole-4-sulfonamide (CID 42282260) is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-1,3-dimethylpyrazole-4-sulfonamide is Cc1nn(C)cc1S(=O)(=O)Nc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is DSHAMWLFQARCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O4S/c1-7-8(6-14(2)12-7)21(19,20)13-9-5-10(17)16(4)11(18)15(9)3/h5-6,13H,1-4H3.
What are the key properties of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-1,3-dimethylpyrazole-4-sulfonamide?
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 313.34 g/mol, XLogP of -1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 42282260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).