N-(3,5-dimethylphenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide

C18H19N3O4S — CID 4109389

IUPACN-(3,5-dimethylphenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c1
InChIInChI=1S/C18H19N3O4S/c1-11-7-12(2)9-13(8-11)19-26(24,25)14-5-6-16-15(10-14)17(22)21(4)18(23)20(16)3/h5-10,19H,1-4H3
InChIKeySHQLILAPHBSSSY-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.65
Rot. Bonds3

About N-(3,5-dimethylphenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide

N-(3,5-dimethylphenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide (PubChem CID 4109389) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide
PubChem CID4109389
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN-(3,5-dimethylphenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c1
InChIInChI=1S/C18H19N3O4S/c1-11-7-12(2)9-13(8-11)19-26(24,25)14-5-6-16-15(10-14)17(22)21(4)18(23)20(16)3/h5-10,19H,1-4H3
InChIKeySHQLILAPHBSSSY-UHFFFAOYSA-N
XLogP1.65
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide?
The IUPAC name of N-(3,5-dimethylphenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide (CID 4109389) is N-(3,5-dimethylphenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide is Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide?
The InChIKey is SHQLILAPHBSSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-11-7-12(2)9-13(8-11)19-26(24,25)14-5-6-16-15(10-14)17(22)21(4)18(23)20(16)3/h5-10,19H,1-4H3.
What are the key properties of N-(3,5-dimethylphenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide?
N-(3,5-dimethylphenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide has a molecular weight of 373.43 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonamide is sourced from PubChem (CID 4109389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).