1-methyl-2,4-dioxo-N-(2,4,6-trimethylphenyl)-3,1-benzoxazine-6-sulfonamide

C18H18N2O5S — CID 110677037

IUPAC1-methyl-2,4-dioxo-N-(2,4,6-trimethylphenyl)-3,1-benzoxazine-6-sulfonamide
SMILESCc1cc(C)c(NS(=O)(=O)c2ccc3c(c2)c(=O)oc(=O)n3C)c(C)c1
InChIInChI=1S/C18H18N2O5S/c1-10-7-11(2)16(12(3)8-10)19-26(23,24)13-5-6-15-14(9-13)17(21)25-18(22)20(15)4/h5-9,19H,1-4H3
InChIKeyWTDMZCZIOCGKSR-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.22
Rot. Bonds3

About 1-methyl-2,4-dioxo-N-(2,4,6-trimethylphenyl)-3,1-benzoxazine-6-sulfonamide

1-methyl-2,4-dioxo-N-(2,4,6-trimethylphenyl)-3,1-benzoxazine-6-sulfonamide (PubChem CID 110677037) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is 1-methyl-2,4-dioxo-N-(2,4,6-trimethylphenyl)-3,1-benzoxazine-6-sulfonamide.

Molecular Properties

Compound Name1-methyl-2,4-dioxo-N-(2,4,6-trimethylphenyl)-3,1-benzoxazine-6-sulfonamide
PubChem CID110677037
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC Name1-methyl-2,4-dioxo-N-(2,4,6-trimethylphenyl)-3,1-benzoxazine-6-sulfonamide
SMILESCc1cc(C)c(NS(=O)(=O)c2ccc3c(c2)c(=O)oc(=O)n3C)c(C)c1
InChIInChI=1S/C18H18N2O5S/c1-10-7-11(2)16(12(3)8-10)19-26(23,24)13-5-6-15-14(9-13)17(21)25-18(22)20(15)4/h5-9,19H,1-4H3
InChIKeyWTDMZCZIOCGKSR-UHFFFAOYSA-N
XLogP2.22
TPSA98.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-2,4-dioxo-N-pyridin-2-yl-3,1-benzoxazine-6-sulfonamide
CID 110677053
N-(2,4-dimethylphenyl)-1-ethyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide
CID 110677116
N-(4-chloro-3-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 70124119
N-(5-ethyl-2-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110424716
3-methyl-2-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-sulfonamide
CID 666515
3-methyl-N-(2-methyl-4-pyridinyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110756901
1,3-dioxo-N-(2,4,6-trimethylphenyl)isoindole-5-sulfonamide
CID 98986189
N-(4-tert-butylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713117
1,3-dimethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxobenzimidazole-5-sulfonamide
CID 20962052
1-methyl-2-oxo-N-(2,4,6-trimethylphenyl)-3,4-dihydroquinoline-6-sulfonamide
CID 110383213
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122356401
N,3-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 83542954

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,4-dioxo-N-(2,4,6-trimethylphenyl)-3,1-benzoxazine-6-sulfonamide?
The IUPAC name of 1-methyl-2,4-dioxo-N-(2,4,6-trimethylphenyl)-3,1-benzoxazine-6-sulfonamide (CID 110677037) is 1-methyl-2,4-dioxo-N-(2,4,6-trimethylphenyl)-3,1-benzoxazine-6-sulfonamide.
What is the SMILES notation for 1-methyl-2,4-dioxo-N-(2,4,6-trimethylphenyl)-3,1-benzoxazine-6-sulfonamide?
The canonical SMILES for 1-methyl-2,4-dioxo-N-(2,4,6-trimethylphenyl)-3,1-benzoxazine-6-sulfonamide is Cc1cc(C)c(NS(=O)(=O)c2ccc3c(c2)c(=O)oc(=O)n3C)c(C)c1.
What is the InChIKey of 1-methyl-2,4-dioxo-N-(2,4,6-trimethylphenyl)-3,1-benzoxazine-6-sulfonamide?
The InChIKey is WTDMZCZIOCGKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S/c1-10-7-11(2)16(12(3)8-10)19-26(23,24)13-5-6-15-14(9-13)17(21)25-18(22)20(15)4/h5-9,19H,1-4H3.
What are the key properties of 1-methyl-2,4-dioxo-N-(2,4,6-trimethylphenyl)-3,1-benzoxazine-6-sulfonamide?
1-methyl-2,4-dioxo-N-(2,4,6-trimethylphenyl)-3,1-benzoxazine-6-sulfonamide has a molecular weight of 374.42 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,4-dioxo-N-(2,4,6-trimethylphenyl)-3,1-benzoxazine-6-sulfonamide is sourced from PubChem (CID 110677037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).