4,6-dimethoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide

C19H20N2O6S — CID 146288819

IUPAC4,6-dimethoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCOc1cc2c(c(OC)c1S(=O)(=O)Nc1noc3cccc(OC)c13)CCC2
InChIInChI=1S/C19H20N2O6S/c1-24-13-8-5-9-14-16(13)19(20-27-14)21-28(22,23)18-15(25-2)10-11-6-4-7-12(11)17(18)26-3/h5,8-10H,4,6-7H2,1-3H3,(H,20,21)
InChIKeyWQXZPACSVYHDHB-UHFFFAOYSA-N
MW404.44 g/mol
LogP3.14
Rot. Bonds6

About 4,6-dimethoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide

4,6-dimethoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 146288819) has the molecular formula C19H20N2O6S and a molecular weight of 404.44 g/mol. Its IUPAC name is 4,6-dimethoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound Name4,6-dimethoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID146288819
Molecular FormulaC19H20N2O6S
Molecular Weight404.44 g/mol
Exact Mass404.10
IUPAC Name4,6-dimethoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCOc1cc2c(c(OC)c1S(=O)(=O)Nc1noc3cccc(OC)c13)CCC2
InChIInChI=1S/C19H20N2O6S/c1-24-13-8-5-9-14-16(13)19(20-27-14)21-28(22,23)18-15(25-2)10-11-6-4-7-12(11)17(18)26-3/h5,8-10H,4,6-7H2,1-3H3,(H,20,21)
InChIKeyWQXZPACSVYHDHB-UHFFFAOYSA-N
XLogP3.14
TPSA99.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-chloro-1,2-benzoxazol-3-yl)-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 146288908
2,6-dimethoxy-N-(4-methoxy-8-pyrazol-1-yl-5,6,7,8-tetrahydrobenzo[f][1,2]benzoxazol-3-yl)benzenesulfonamide
CID 167432888
2,6-dimethoxy-N-[4-methoxy-6-(2-methoxyphenyl)-1,2-benzoxazol-3-yl]benzenesulfonamide
CID 146288981
2-methoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)-6-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide
CID 146328824
2-methoxy-N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]-5,6,7,8-tetrahydronaphthalene-1-sulfonamide
CID 155432575
2,6-dimethoxy-N-[4-methoxy-6-(oxetan-3-ylamino)-1,2-benzoxazol-3-yl]benzenesulfonamide
CID 176511328
N-(4-chloro-1,2-benzoxazol-3-yl)-2-methoxybenzenesulfonamide
CID 146288934
2,6-dimethoxy-N-[4-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-benzoxazol-3-yl]benzenesulfonamide
CID 169078780
N-[6-(3-bromo-5-hydroxyphenyl)-4-methoxy-1,2-benzoxazol-3-yl]-2,6-dimethoxybenzenesulfonamide
CID 169078748
2,6-dimethoxy-N-[4-methoxy-6-[(5-methylpyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl]benzenesulfonamide
CID 155411206
N-[6-(azetidin-1-yl)-4-methoxy-[1,2]oxazolo[5,4-b]pyridin-3-yl]-2,6-dimethoxybenzenesulfonamide
CID 166133355
N-[6-[[4-(hydroxymethyl)pyrazol-1-yl]methyl]-4-methoxy-1,2-benzoxazol-3-yl]-2,6-dimethoxybenzenesulfonamide
CID 155411223

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of 4,6-dimethoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide (CID 146288819) is 4,6-dimethoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for 4,6-dimethoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for 4,6-dimethoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide is COc1cc2c(c(OC)c1S(=O)(=O)Nc1noc3cccc(OC)c13)CCC2.
What is the InChIKey of 4,6-dimethoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is WQXZPACSVYHDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6S/c1-24-13-8-5-9-14-16(13)19(20-27-14)21-28(22,23)18-15(25-2)10-11-6-4-7-12(11)17(18)26-3/h5,8-10H,4,6-7H2,1-3H3,(H,20,21).
What are the key properties of 4,6-dimethoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
4,6-dimethoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 404.44 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 146288819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).