2,4,6-trimethyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide

C16H16N2O4S — CID 46346354

IUPAC2,4,6-trimethyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc3[nH]c(=O)oc3c2)c(C)c1
InChIInChI=1S/C16H16N2O4S/c1-9-6-10(2)15(11(3)7-9)23(20,21)18-12-4-5-13-14(8-12)22-16(19)17-13/h4-8,18H,1-3H3,(H,17,19)
InChIKeyYVOHHOQJRZHCSS-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.85
Rot. Bonds3

About 2,4,6-trimethyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide

2,4,6-trimethyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide (PubChem CID 46346354) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide
PubChem CID46346354
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name2,4,6-trimethyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc3[nH]c(=O)oc3c2)c(C)c1
InChIInChI=1S/C16H16N2O4S/c1-9-6-10(2)15(11(3)7-9)23(20,21)18-12-4-5-13-14(8-12)22-16(19)17-13/h4-8,18H,1-3H3,(H,17,19)
InChIKeyYVOHHOQJRZHCSS-UHFFFAOYSA-N
XLogP2.85
TPSA92.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,2-oxazole-4-sulfonamide
CID 50796746
2,4,6-trimethyl-N-(2-oxo-1,3-benzoxathiol-5-yl)benzenesulfonamide
CID 3552308
3-chloro-4-methoxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110350533
2,4,6-trimethyl-N-(5H-pyrido[4,3-b]indol-8-yl)benzenesulfonamide
CID 52941468
N-(4-bromo-3-methylphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 1087335
N-(4-aminophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 82104270
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 155962881
1-methyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3H-indole-5-sulfonamide
CID 110350539
2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 166375430
5-fluoro-2-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 47062828
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2,4,6-trimethylbenzenesulfonamide
CID 110405797
6-(sulfanylmethylamino)-3H-1,3-benzoxazol-2-one
CID 115227664

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide (CID 46346354) is 2,4,6-trimethyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2ccc3[nH]c(=O)oc3c2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide?
The InChIKey is YVOHHOQJRZHCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-9-6-10(2)15(11(3)7-9)23(20,21)18-12-4-5-13-14(8-12)22-16(19)17-13/h4-8,18H,1-3H3,(H,17,19).
What are the key properties of 2,4,6-trimethyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide?
2,4,6-trimethyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide has a molecular weight of 332.38 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide is sourced from PubChem (CID 46346354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).