4-(4-methylphenyl)-1-oxo-N-(4-sulfamoylphenyl)isochromene-3-carboxamide

C23H18N2O5S — CID 4079017

IUPAC4-(4-methylphenyl)-1-oxo-N-(4-sulfamoylphenyl)isochromene-3-carboxamide
SMILESCc1ccc(-c2c(C(=O)Nc3ccc(S(N)(=O)=O)cc3)oc(=O)c3ccccc23)cc1
InChIInChI=1S/C23H18N2O5S/c1-14-6-8-15(9-7-14)20-18-4-2-3-5-19(18)23(27)30-21(20)22(26)25-16-10-12-17(13-11-16)31(24,28)29/h2-13H,1H3,(H,25,26)(H2,24,28,29)
InChIKeyZKAZXAPPJLOLBC-UHFFFAOYSA-N
MW434.47 g/mol
LogP3.67
Rot. Bonds4

About 4-(4-methylphenyl)-1-oxo-N-(4-sulfamoylphenyl)isochromene-3-carboxamide

4-(4-methylphenyl)-1-oxo-N-(4-sulfamoylphenyl)isochromene-3-carboxamide (PubChem CID 4079017) has the molecular formula C23H18N2O5S and a molecular weight of 434.47 g/mol. Its IUPAC name is 4-(4-methylphenyl)-1-oxo-N-(4-sulfamoylphenyl)isochromene-3-carboxamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-1-oxo-N-(4-sulfamoylphenyl)isochromene-3-carboxamide
PubChem CID4079017
Molecular FormulaC23H18N2O5S
Molecular Weight434.47 g/mol
Exact Mass434.09
IUPAC Name4-(4-methylphenyl)-1-oxo-N-(4-sulfamoylphenyl)isochromene-3-carboxamide
SMILESCc1ccc(-c2c(C(=O)Nc3ccc(S(N)(=O)=O)cc3)oc(=O)c3ccccc23)cc1
InChIInChI=1S/C23H18N2O5S/c1-14-6-8-15(9-7-14)20-18-4-2-3-5-19(18)23(27)30-21(20)22(26)25-16-10-12-17(13-11-16)31(24,28)29/h2-13H,1H3,(H,25,26)(H2,24,28,29)
InChIKeyZKAZXAPPJLOLBC-UHFFFAOYSA-N
XLogP3.67
TPSA119.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethylphenyl)-1-oxo-4-phenyl-1H-isochromene-3-carboxamide
CID 12005347
N-(2,4-dimethylphenyl)-1-oxo-4-phenyl-1H-isochromene-3-carboxamide
CID 12005443
Ethyl 4-({N-[(4-methylphenyl)methyl]4-acetamidobenzenesulfonamido}methyl)benzoate
CID 4182816
2-{[4-(Aminosulfonyl)phenyl]amino}-2-oxoethyl 2-(propionylamino)benzoate
CID 2190341
[2-(2,6-diethylanilino)-2-oxoethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate
CID 2332636
[2-(4-Tert-butylanilino)-2-oxoethyl] 4-[(3,4-difluorophenyl)sulfonylamino]benzoate
CID 2346627
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate
CID 2402288
[2-[4-(Difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2430245
[2-(2,3-Dimethylanilino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
CID 2557091
[1-[2-(Cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 4-[methyl(phenyl)sulfamoyl]benzoate
CID 3344295
[1-[2-(Cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 4281830
1-oxo-N-(4-sulfamoylphenyl)isochroman-3-carboxamide
CID 4973739

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-1-oxo-N-(4-sulfamoylphenyl)isochromene-3-carboxamide?
The IUPAC name of 4-(4-methylphenyl)-1-oxo-N-(4-sulfamoylphenyl)isochromene-3-carboxamide (CID 4079017) is 4-(4-methylphenyl)-1-oxo-N-(4-sulfamoylphenyl)isochromene-3-carboxamide.
What is the SMILES notation for 4-(4-methylphenyl)-1-oxo-N-(4-sulfamoylphenyl)isochromene-3-carboxamide?
The canonical SMILES for 4-(4-methylphenyl)-1-oxo-N-(4-sulfamoylphenyl)isochromene-3-carboxamide is Cc1ccc(-c2c(C(=O)Nc3ccc(S(N)(=O)=O)cc3)oc(=O)c3ccccc23)cc1.
What is the InChIKey of 4-(4-methylphenyl)-1-oxo-N-(4-sulfamoylphenyl)isochromene-3-carboxamide?
The InChIKey is ZKAZXAPPJLOLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O5S/c1-14-6-8-15(9-7-14)20-18-4-2-3-5-19(18)23(27)30-21(20)22(26)25-16-10-12-17(13-11-16)31(24,28)29/h2-13H,1H3,(H,25,26)(H2,24,28,29).
What are the key properties of 4-(4-methylphenyl)-1-oxo-N-(4-sulfamoylphenyl)isochromene-3-carboxamide?
4-(4-methylphenyl)-1-oxo-N-(4-sulfamoylphenyl)isochromene-3-carboxamide has a molecular weight of 434.47 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-1-oxo-N-(4-sulfamoylphenyl)isochromene-3-carboxamide is sourced from PubChem (CID 4079017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).