N-(2,3-dimethylphenyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide

C15H19N3O4S — CID 47063231

IUPACN-(2,3-dimethylphenyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCc1cccc(N(C)S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1C
InChIInChI=1S/C15H19N3O4S/c1-10-7-6-8-12(11(10)2)18(5)23(21,22)13-9-16(3)15(20)17(4)14(13)19/h6-9H,1-5H3
InChIKeyXRNKGDQHGKRSAD-UHFFFAOYSA-N
MW337.40 g/mol
LogP0.53
Rot. Bonds3

About N-(2,3-dimethylphenyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide

N-(2,3-dimethylphenyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide (PubChem CID 47063231) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide
PubChem CID47063231
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC NameN-(2,3-dimethylphenyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide
SMILESCc1cccc(N(C)S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1C
InChIInChI=1S/C15H19N3O4S/c1-10-7-6-8-12(11(10)2)18(5)23(21,22)13-9-16(3)15(20)17(4)14(13)19/h6-9H,1-5H3
InChIKeyXRNKGDQHGKRSAD-UHFFFAOYSA-N
XLogP0.53
TPSA81.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-(2,3-dimethylphenyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide (CID 47063231) is N-(2,3-dimethylphenyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide is Cc1cccc(N(C)S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide?
The InChIKey is XRNKGDQHGKRSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-10-7-6-8-12(11(10)2)18(5)23(21,22)13-9-16(3)15(20)17(4)14(13)19/h6-9H,1-5H3.
What are the key properties of N-(2,3-dimethylphenyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide?
N-(2,3-dimethylphenyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide has a molecular weight of 337.40 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-N,1,3-trimethyl-2,4-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 47063231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).