N-(3-ethylphenyl)-3,6-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide

C17H18N2O4S — CID 70122231

IUPACN-(3-ethylphenyl)-3,6-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide
SMILESCCc1cccc(NS(=O)(=O)c2cc3c(cc2C)oc(=O)n3C)c1
InChIInChI=1S/C17H18N2O4S/c1-4-12-6-5-7-13(9-12)18-24(21,22)16-10-14-15(8-11(16)2)23-17(20)19(14)3/h5-10,18H,4H2,1-3H3
InChIKeyZMDHHFMVKRIPBW-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.80
Rot. Bonds4

About N-(3-ethylphenyl)-3,6-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide

N-(3-ethylphenyl)-3,6-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide (PubChem CID 70122231) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(3-ethylphenyl)-3,6-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-3,6-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide
PubChem CID70122231
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN-(3-ethylphenyl)-3,6-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide
SMILESCCc1cccc(NS(=O)(=O)c2cc3c(cc2C)oc(=O)n3C)c1
InChIInChI=1S/C17H18N2O4S/c1-4-12-6-5-7-13(9-12)18-24(21,22)16-10-14-15(8-11(16)2)23-17(20)19(14)3/h5-10,18H,4H2,1-3H3
InChIKeyZMDHHFMVKRIPBW-UHFFFAOYSA-N
XLogP2.80
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-3-methylphenyl)-3,6-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 70121145
4-ethoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110601952
N-(5-ethyl-2-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110424716
2,4-dimethyl-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 46346422
2-chloro-N-(3-ethylphenyl)pyridine-3-sulfonamide
CID 24621325
2-amino-N-(3-ethylphenyl)-3,6-dimethylbenzenesulfonamide
CID 103171008
2-ethyl-N-(3-ethylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20936387
N-(3,4-dimethylphenyl)-1,4,7-trimethyl-2,3-dioxoquinoxaline-6-sulfonamide
CID 20914056
4-bromo-N-(3-ethylphenyl)-3-methylbenzenesulfonamide
CID 60641368
5-chloro-N-[4-(cyanomethyl)phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 7647934
N-[3-[(3-chlorophenyl)sulfamoyl]phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713122
N,N-diethyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzamide
CID 30713736

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-3,6-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
The IUPAC name of N-(3-ethylphenyl)-3,6-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide (CID 70122231) is N-(3-ethylphenyl)-3,6-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide.
What is the SMILES notation for N-(3-ethylphenyl)-3,6-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
The canonical SMILES for N-(3-ethylphenyl)-3,6-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide is CCc1cccc(NS(=O)(=O)c2cc3c(cc2C)oc(=O)n3C)c1.
What is the InChIKey of N-(3-ethylphenyl)-3,6-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
The InChIKey is ZMDHHFMVKRIPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-4-12-6-5-7-13(9-12)18-24(21,22)16-10-14-15(8-11(16)2)23-17(20)19(14)3/h5-10,18H,4H2,1-3H3.
What are the key properties of N-(3-ethylphenyl)-3,6-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
N-(3-ethylphenyl)-3,6-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide has a molecular weight of 346.41 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-3,6-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 70122231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).