N-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

C23H22N4O5S — CID 138592930

IUPACN-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1)C1Cc2cnccc2N1
InChIInChI=1S/C23H22N4O5S/c28-23(20-11-16-14-24-8-7-19(16)26-20)25-13-15-1-4-18(5-2-15)33(29,30)27-17-3-6-21-22(12-17)32-10-9-31-21/h1-8,12,14,20,26-27H,9-11,13H2,(H,25,28)
InChIKeyIYAOKDRFJNGCFJ-UHFFFAOYSA-N
MW466.52 g/mol
LogP2.31
Rot. Bonds6

About N-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

N-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 138592930) has the molecular formula C23H22N4O5S and a molecular weight of 466.52 g/mol. Its IUPAC name is N-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID138592930
Molecular FormulaC23H22N4O5S
Molecular Weight466.52 g/mol
Exact Mass466.13
IUPAC NameN-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1)C1Cc2cnccc2N1
InChIInChI=1S/C23H22N4O5S/c28-23(20-11-16-14-24-8-7-19(16)26-20)25-13-15-1-4-18(5-2-15)33(29,30)27-17-3-6-21-22(12-17)32-10-9-31-21/h1-8,12,14,20,26-27H,9-11,13H2,(H,25,28)
InChIKeyIYAOKDRFJNGCFJ-UHFFFAOYSA-N
XLogP2.31
TPSA118.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 138592930) is N-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is O=C(NCc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1)C1Cc2cnccc2N1.
What is the InChIKey of N-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is IYAOKDRFJNGCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O5S/c28-23(20-11-16-14-24-8-7-19(16)26-20)25-13-15-1-4-18(5-2-15)33(29,30)27-17-3-6-21-22(12-17)32-10-9-31-21/h1-8,12,14,20,26-27H,9-11,13H2,(H,25,28).
What are the key properties of N-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
N-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 466.52 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 138592930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).