N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-1,3-benzodioxole-4-carboxamide

C22H20N2O7S — CID 55836989

IUPACN-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-1,3-benzodioxole-4-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccc4c3OCO4)ccc2OC)cc1
InChIInChI=1S/C22H20N2O7S/c1-28-16-9-6-14(7-10-16)24-32(26,27)20-12-15(8-11-18(20)29-2)23-22(25)17-4-3-5-19-21(17)31-13-30-19/h3-12,24H,13H2,1-2H3,(H,23,25)
InChIKeyHNVLCCUKWZVHAB-UHFFFAOYSA-N
MW456.48 g/mol
LogP3.49
Rot. Bonds7

About N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-1,3-benzodioxole-4-carboxamide

N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-1,3-benzodioxole-4-carboxamide (PubChem CID 55836989) has the molecular formula C22H20N2O7S and a molecular weight of 456.48 g/mol. Its IUPAC name is N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-1,3-benzodioxole-4-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-1,3-benzodioxole-4-carboxamide
PubChem CID55836989
Molecular FormulaC22H20N2O7S
Molecular Weight456.48 g/mol
Exact Mass456.10
IUPAC NameN-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-1,3-benzodioxole-4-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccc4c3OCO4)ccc2OC)cc1
InChIInChI=1S/C22H20N2O7S/c1-28-16-9-6-14(7-10-16)24-32(26,27)20-12-15(8-11-18(20)29-2)23-22(25)17-4-3-5-19-21(17)31-13-30-19/h3-12,24H,13H2,1-2H3,(H,23,25)
InChIKeyHNVLCCUKWZVHAB-UHFFFAOYSA-N
XLogP3.49
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.48
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-cyano-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 167831780
N-[6-(1,3-benzodioxole-4-carbonylamino)anthracen-2-yl]-1,3-benzodioxole-4-carboxamide
CID 101095834
3-fluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 26851586
2-chloro-4,5-difluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 26851594
3,5-difluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 26851473
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-1,3-benzodioxole-4-carboxamide
CID 59813656
N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-methylsulfanylacetamide
CID 4788054
(E)-3-(2,6-difluorophenyl)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 46489533
N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-quinolin-8-ylacetamide
CID 46571780
2-(carbamoylamino)-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 18208108
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]-2,6-dimethylbenzamide
CID 71771105
methyl N-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]carbamate
CID 71890321

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-1,3-benzodioxole-4-carboxamide?
The IUPAC name of N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-1,3-benzodioxole-4-carboxamide (CID 55836989) is N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-1,3-benzodioxole-4-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-1,3-benzodioxole-4-carboxamide?
The canonical SMILES for N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-1,3-benzodioxole-4-carboxamide is COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccc4c3OCO4)ccc2OC)cc1.
What is the InChIKey of N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-1,3-benzodioxole-4-carboxamide?
The InChIKey is HNVLCCUKWZVHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O7S/c1-28-16-9-6-14(7-10-16)24-32(26,27)20-12-15(8-11-18(20)29-2)23-22(25)17-4-3-5-19-21(17)31-13-30-19/h3-12,24H,13H2,1-2H3,(H,23,25).
What are the key properties of N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-1,3-benzodioxole-4-carboxamide?
N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-1,3-benzodioxole-4-carboxamide has a molecular weight of 456.48 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-1,3-benzodioxole-4-carboxamide is sourced from PubChem (CID 55836989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).