N-[2-chloro-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide

C24H20ClN3O6S — CID 4836454

IUPACN-[2-chloro-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(Cl)c(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C24H20ClN3O6S/c1-14(28-23(30)16-7-3-4-8-17(16)24(28)31)22(29)26-20-13-15(11-12-18(20)25)35(32,33)27-19-9-5-6-10-21(19)34-2/h3-14,27H,1-2H3,(H,26,29)
InChIKeyGOUYYZGGLRRORJ-UHFFFAOYSA-N
MW513.96 g/mol
LogP3.77
Rot. Bonds7

About N-[2-chloro-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide

N-[2-chloro-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 4836454) has the molecular formula C24H20ClN3O6S and a molecular weight of 513.96 g/mol. Its IUPAC name is N-[2-chloro-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-chloro-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID4836454
Molecular FormulaC24H20ClN3O6S
Molecular Weight513.96 g/mol
Exact Mass513.08
IUPAC NameN-[2-chloro-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(Cl)c(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C24H20ClN3O6S/c1-14(28-23(30)16-7-3-4-8-17(16)24(28)31)22(29)26-20-13-15(11-12-18(20)25)35(32,33)27-19-9-5-6-10-21(19)34-2/h3-14,27H,1-2H3,(H,26,29)
InChIKeyGOUYYZGGLRRORJ-UHFFFAOYSA-N
XLogP3.77
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.96
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)propanamide
CID 2787226
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)propanamide
CID 51140735
N-(2-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 3109173
(2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 7788336
2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 108767409
3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 961849
N-[5-[[2-(2-chlorophenoxy)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 24514729
[2-(2-chloro-5-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 25401892
6-chloro-N-[2-chloro-5-[(2-methoxyphenyl)sulfamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 4069364
[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 2597285
N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide
CID 46510189
N-[2-chloro-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 3602525

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-[2-chloro-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide (CID 4836454) is N-[2-chloro-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-[2-chloro-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-[2-chloro-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide is COc1ccccc1NS(=O)(=O)c1ccc(Cl)c(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of N-[2-chloro-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is GOUYYZGGLRRORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O6S/c1-14(28-23(30)16-7-3-4-8-17(16)24(28)31)22(29)26-20-13-15(11-12-18(20)25)35(32,33)27-19-9-5-6-10-21(19)34-2/h3-14,27H,1-2H3,(H,26,29).
What are the key properties of N-[2-chloro-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide?
N-[2-chloro-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 513.96 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 4836454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).