2,6-dimethoxy-N-[4-methoxy-6-(2-methoxyphenyl)-1,2-benzoxazol-3-yl]benzenesulfonamide

C23H22N2O7S — CID 146288981

IUPAC2,6-dimethoxy-N-[4-methoxy-6-(2-methoxyphenyl)-1,2-benzoxazol-3-yl]benzenesulfonamide
SMILESCOc1ccccc1-c1cc(OC)c2c(NS(=O)(=O)c3c(OC)cccc3OC)noc2c1
InChIInChI=1S/C23H22N2O7S/c1-28-16-9-6-5-8-15(16)14-12-19(31-4)21-20(13-14)32-24-23(21)25-33(26,27)22-17(29-2)10-7-11-18(22)30-3/h5-13H,1-4H3,(H,24,25)
InChIKeyGIQUWJJLRNLIDE-UHFFFAOYSA-N
MW470.50 g/mol
LogP4.33
Rot. Bonds8

About 2,6-dimethoxy-N-[4-methoxy-6-(2-methoxyphenyl)-1,2-benzoxazol-3-yl]benzenesulfonamide

2,6-dimethoxy-N-[4-methoxy-6-(2-methoxyphenyl)-1,2-benzoxazol-3-yl]benzenesulfonamide (PubChem CID 146288981) has the molecular formula C23H22N2O7S and a molecular weight of 470.50 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[4-methoxy-6-(2-methoxyphenyl)-1,2-benzoxazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[4-methoxy-6-(2-methoxyphenyl)-1,2-benzoxazol-3-yl]benzenesulfonamide
PubChem CID146288981
Molecular FormulaC23H22N2O7S
Molecular Weight470.50 g/mol
Exact Mass470.11
IUPAC Name2,6-dimethoxy-N-[4-methoxy-6-(2-methoxyphenyl)-1,2-benzoxazol-3-yl]benzenesulfonamide
SMILESCOc1ccccc1-c1cc(OC)c2c(NS(=O)(=O)c3c(OC)cccc3OC)noc2c1
InChIInChI=1S/C23H22N2O7S/c1-28-16-9-6-5-8-15(16)14-12-19(31-4)21-20(13-14)32-24-23(21)25-33(26,27)22-17(29-2)10-7-11-18(22)30-3/h5-13H,1-4H3,(H,24,25)
InChIKeyGIQUWJJLRNLIDE-UHFFFAOYSA-N
XLogP4.33
TPSA109.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2,6-dimethoxy-N-[4-methoxy-6-(2-methoxyphenyl)-1,2-benzoxazol-3-yl]benzenesulfonamide with MolForge

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Related Compounds

US11492346, Example 23
CID 155432731
US11492346, Example 120
CID 155422998
US11492346, Example 122
CID 155423004
US11492346, Example 114
CID 155423101
US11492346, Example 112
CID 155654713
US11492346, Example 119
CID 166594435
2,6-dimethoxy-N-(5-phenyl-3,4-dihydro-2H-pyrano[2,3-e][1,2]benzoxazol-9-yl)benzenesulfonamide
CID 168942513
US11911372, Example 106
CID 153380987
US11911372, Example 22
CID 153381014
2-fluoro-6-methoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)benzenesulfonamide
CID 146278207
2,6-difluoro-N-(4-methoxy-1,2-benzoxazol-3-yl)benzenesulfonamide
CID 146278258
2,6-dimethoxy-N-[4-methoxy-6-(2,2,2-trifluoroethoxymethyl)-1,2-benzoxazol-3-yl]benzenesulfonamide
CID 146288874

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[4-methoxy-6-(2-methoxyphenyl)-1,2-benzoxazol-3-yl]benzenesulfonamide?
The IUPAC name of 2,6-dimethoxy-N-[4-methoxy-6-(2-methoxyphenyl)-1,2-benzoxazol-3-yl]benzenesulfonamide (CID 146288981) is 2,6-dimethoxy-N-[4-methoxy-6-(2-methoxyphenyl)-1,2-benzoxazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 2,6-dimethoxy-N-[4-methoxy-6-(2-methoxyphenyl)-1,2-benzoxazol-3-yl]benzenesulfonamide?
The canonical SMILES for 2,6-dimethoxy-N-[4-methoxy-6-(2-methoxyphenyl)-1,2-benzoxazol-3-yl]benzenesulfonamide is COc1ccccc1-c1cc(OC)c2c(NS(=O)(=O)c3c(OC)cccc3OC)noc2c1.
What is the InChIKey of 2,6-dimethoxy-N-[4-methoxy-6-(2-methoxyphenyl)-1,2-benzoxazol-3-yl]benzenesulfonamide?
The InChIKey is GIQUWJJLRNLIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O7S/c1-28-16-9-6-5-8-15(16)14-12-19(31-4)21-20(13-14)32-24-23(21)25-33(26,27)22-17(29-2)10-7-11-18(22)30-3/h5-13H,1-4H3,(H,24,25).
What are the key properties of 2,6-dimethoxy-N-[4-methoxy-6-(2-methoxyphenyl)-1,2-benzoxazol-3-yl]benzenesulfonamide?
2,6-dimethoxy-N-[4-methoxy-6-(2-methoxyphenyl)-1,2-benzoxazol-3-yl]benzenesulfonamide has a molecular weight of 470.50 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[4-methoxy-6-(2-methoxyphenyl)-1,2-benzoxazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 146288981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).