N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide

C19H20N2O7S — CID 4835037

IUPACN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H20N2O7S/c1-25-16-5-3-14(11-18(16)29(23,24)21-6-8-26-9-7-21)20-19(22)13-2-4-15-17(10-13)28-12-27-15/h2-5,10-11H,6-9,12H2,1H3,(H,20,22)
InChIKeyHLHNLGOJGLSIHX-UHFFFAOYSA-N
MW420.44 g/mol
LogP1.70
Rot. Bonds5

About N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide

N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 4835037) has the molecular formula C19H20N2O7S and a molecular weight of 420.44 g/mol. Its IUPAC name is N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide
PubChem CID4835037
Molecular FormulaC19H20N2O7S
Molecular Weight420.44 g/mol
Exact Mass420.10
IUPAC NameN-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H20N2O7S/c1-25-16-5-3-14(11-18(16)29(23,24)21-6-8-26-9-7-21)20-19(22)13-2-4-15-17(10-13)28-12-27-15/h2-5,10-11H,6-9,12H2,1H3,(H,20,22)
InChIKeyHLHNLGOJGLSIHX-UHFFFAOYSA-N
XLogP1.70
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide (CID 4835037) is N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide is COc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is HLHNLGOJGLSIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O7S/c1-25-16-5-3-14(11-18(16)29(23,24)21-6-8-26-9-7-21)20-19(22)13-2-4-15-17(10-13)28-12-27-15/h2-5,10-11H,6-9,12H2,1H3,(H,20,22).
What are the key properties of N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide?
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 420.44 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 4835037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).