N-benzyl-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide

C14H17N3O4S — CID 7196425

IUPACN-benzyl-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide
SMILESCc1c(S(=O)(=O)NCc2ccccc2)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C14H17N3O4S/c1-10-12(13(18)17(3)14(19)16(10)2)22(20,21)15-9-11-7-5-4-6-8-11/h4-8,15H,9H2,1-3H3
InChIKeyGLTVFHIBYLEFHC-UHFFFAOYSA-N
MW323.37 g/mol
LogP-0.13
Rot. Bonds4

About N-benzyl-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide

N-benzyl-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide (PubChem CID 7196425) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is N-benzyl-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-benzyl-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide
PubChem CID7196425
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC NameN-benzyl-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide
SMILESCc1c(S(=O)(=O)NCc2ccccc2)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C14H17N3O4S/c1-10-12(13(18)17(3)14(19)16(10)2)22(20,21)15-9-11-7-5-4-6-8-11/h4-8,15H,9H2,1-3H3
InChIKeyGLTVFHIBYLEFHC-UHFFFAOYSA-N
XLogP-0.13
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide?
The IUPAC name of N-benzyl-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide (CID 7196425) is N-benzyl-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide.
What is the SMILES notation for N-benzyl-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide?
The canonical SMILES for N-benzyl-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide is Cc1c(S(=O)(=O)NCc2ccccc2)c(=O)n(C)c(=O)n1C.
What is the InChIKey of N-benzyl-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide?
The InChIKey is GLTVFHIBYLEFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-10-12(13(18)17(3)14(19)16(10)2)22(20,21)15-9-11-7-5-4-6-8-11/h4-8,15H,9H2,1-3H3.
What are the key properties of N-benzyl-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide?
N-benzyl-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide has a molecular weight of 323.37 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonamide is sourced from PubChem (CID 7196425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).