1-oxo-3-phenyl-N-(3-sulfamoylphenyl)-3,4-dihydroisochromene-6-carboxamide

C22H18N2O5S — CID 42920014

IUPAC1-oxo-3-phenyl-N-(3-sulfamoylphenyl)-3,4-dihydroisochromene-6-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2ccc3c(c2)CC(c2ccccc2)OC3=O)c1
InChIInChI=1S/C22H18N2O5S/c23-30(27,28)18-8-4-7-17(13-18)24-21(25)15-9-10-19-16(11-15)12-20(29-22(19)26)14-5-2-1-3-6-14/h1-11,13,20H,12H2,(H,24,25)(H2,23,27,28)
InChIKeySUOCKTUZKYKOBZ-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.04
Rot. Bonds4

About 1-oxo-3-phenyl-N-(3-sulfamoylphenyl)-3,4-dihydroisochromene-6-carboxamide

1-oxo-3-phenyl-N-(3-sulfamoylphenyl)-3,4-dihydroisochromene-6-carboxamide (PubChem CID 42920014) has the molecular formula C22H18N2O5S and a molecular weight of 422.46 g/mol. Its IUPAC name is 1-oxo-3-phenyl-N-(3-sulfamoylphenyl)-3,4-dihydroisochromene-6-carboxamide.

Molecular Properties

Compound Name1-oxo-3-phenyl-N-(3-sulfamoylphenyl)-3,4-dihydroisochromene-6-carboxamide
PubChem CID42920014
Molecular FormulaC22H18N2O5S
Molecular Weight422.46 g/mol
Exact Mass422.09
IUPAC Name1-oxo-3-phenyl-N-(3-sulfamoylphenyl)-3,4-dihydroisochromene-6-carboxamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2ccc3c(c2)CC(c2ccccc2)OC3=O)c1
InChIInChI=1S/C22H18N2O5S/c23-30(27,28)18-8-4-7-17(13-18)24-21(25)15-9-10-19-16(11-15)12-20(29-22(19)26)14-5-2-1-3-6-14/h1-11,13,20H,12H2,(H,24,25)(H2,23,27,28)
InChIKeySUOCKTUZKYKOBZ-UHFFFAOYSA-N
XLogP3.04
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-oxo-3-phenyl-N-(4-sulfamoylphenyl)-3,4-dihydroisochromene-6-carboxamide
CID 4974011
N-[3-(methylcarbamoyl)phenyl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 18208642
N-(3-nitrophenyl)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 4906873
(3R)-N-(4-hydroxyphenyl)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 97315472
(3S)-N-(4-chlorophenyl)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 7274281
N-(4-fluorophenyl)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 4913378
(3R)-N-(2,3-dihydro-1H-inden-5-yl)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 8023393
(3R)-N-(3-chlorophenyl)-3-(4-chlorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
CID 42497282
ethyl 4-[[(3R)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carbonyl]amino]benzoate
CID 7150460
1-oxo-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 166187306
(3S)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 25396823
(3S)-3-(4-fluorophenyl)-N-(3-methoxyphenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
CID 51660641

Frequently Asked Questions

What is the IUPAC name of 1-oxo-3-phenyl-N-(3-sulfamoylphenyl)-3,4-dihydroisochromene-6-carboxamide?
The IUPAC name of 1-oxo-3-phenyl-N-(3-sulfamoylphenyl)-3,4-dihydroisochromene-6-carboxamide (CID 42920014) is 1-oxo-3-phenyl-N-(3-sulfamoylphenyl)-3,4-dihydroisochromene-6-carboxamide.
What is the SMILES notation for 1-oxo-3-phenyl-N-(3-sulfamoylphenyl)-3,4-dihydroisochromene-6-carboxamide?
The canonical SMILES for 1-oxo-3-phenyl-N-(3-sulfamoylphenyl)-3,4-dihydroisochromene-6-carboxamide is NS(=O)(=O)c1cccc(NC(=O)c2ccc3c(c2)CC(c2ccccc2)OC3=O)c1.
What is the InChIKey of 1-oxo-3-phenyl-N-(3-sulfamoylphenyl)-3,4-dihydroisochromene-6-carboxamide?
The InChIKey is SUOCKTUZKYKOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O5S/c23-30(27,28)18-8-4-7-17(13-18)24-21(25)15-9-10-19-16(11-15)12-20(29-22(19)26)14-5-2-1-3-6-14/h1-11,13,20H,12H2,(H,24,25)(H2,23,27,28).
What are the key properties of 1-oxo-3-phenyl-N-(3-sulfamoylphenyl)-3,4-dihydroisochromene-6-carboxamide?
1-oxo-3-phenyl-N-(3-sulfamoylphenyl)-3,4-dihydroisochromene-6-carboxamide has a molecular weight of 422.46 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-3-phenyl-N-(3-sulfamoylphenyl)-3,4-dihydroisochromene-6-carboxamide is sourced from PubChem (CID 42920014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).