N-(2,4-dimethylphenyl)-1-ethyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide

C18H18N2O5S — CID 110677116

IUPACN-(2,4-dimethylphenyl)-1-ethyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide
SMILESCCn1c(=O)oc(=O)c2cc(S(=O)(=O)Nc3ccc(C)cc3C)ccc21
InChIInChI=1S/C18H18N2O5S/c1-4-20-16-8-6-13(10-14(16)17(21)25-18(20)22)26(23,24)19-15-7-5-11(2)9-12(15)3/h5-10,19H,4H2,1-3H3
InChIKeyCNPHNVAWCYKLLO-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.39
Rot. Bonds4

About N-(2,4-dimethylphenyl)-1-ethyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide

N-(2,4-dimethylphenyl)-1-ethyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide (PubChem CID 110677116) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-ethyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-ethyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide
PubChem CID110677116
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC NameN-(2,4-dimethylphenyl)-1-ethyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide
SMILESCCn1c(=O)oc(=O)c2cc(S(=O)(=O)Nc3ccc(C)cc3C)ccc21
InChIInChI=1S/C18H18N2O5S/c1-4-20-16-8-6-13(10-14(16)17(21)25-18(20)22)26(23,24)19-15-7-5-11(2)9-12(15)3/h5-10,19H,4H2,1-3H3
InChIKeyCNPHNVAWCYKLLO-UHFFFAOYSA-N
XLogP2.39
TPSA98.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-2,4-dioxo-N-(2,4,6-trimethylphenyl)-3,1-benzoxazine-6-sulfonamide
CID 110677037
N-[3-(dimethylamino)propyl]-1-ethyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide
CID 110677089
6-(azepan-1-ylsulfonyl)-1-ethyl-3,1-benzoxazine-2,4-dione
CID 110677110
1-ethyl-N-methyl-2,4-dioxo-N-phenyl-3,1-benzoxazine-6-sulfonamide
CID 110677114
N-(2,4-dimethylphenyl)-1-methyl-4-oxochromeno[3,4-d]imidazole-8-sulfonamide
CID 20917139
N-benzyl-1-ethyl-N-methyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide
CID 110677099
3-ethyl-N-(2-ethyl-6-methylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648212
N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104337
3-[2-(azepan-1-yl)-2-oxoethyl]-N-(2,4-dimethylphenyl)-1-methyl-2,4-dioxoquinazoline-6-sulfonamide
CID 20974152
3-ethyl-N-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648195
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648292
N-(2,4-dimethylphenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 28715386

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1-ethyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide?
The IUPAC name of N-(2,4-dimethylphenyl)-1-ethyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide (CID 110677116) is N-(2,4-dimethylphenyl)-1-ethyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-ethyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-ethyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide is CCn1c(=O)oc(=O)c2cc(S(=O)(=O)Nc3ccc(C)cc3C)ccc21.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-ethyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide?
The InChIKey is CNPHNVAWCYKLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S/c1-4-20-16-8-6-13(10-14(16)17(21)25-18(20)22)26(23,24)19-15-7-5-11(2)9-12(15)3/h5-10,19H,4H2,1-3H3.
What are the key properties of N-(2,4-dimethylphenyl)-1-ethyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide?
N-(2,4-dimethylphenyl)-1-ethyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide has a molecular weight of 374.42 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1-ethyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide is sourced from PubChem (CID 110677116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).