methyl 2-[5-[(2-chloro-4-methylphenyl)sulfamoyl]-3,3-dimethyl-2-oxoindol-1-yl]acetate

C20H21ClN2O5S — CID 22583348

IUPACmethyl 2-[5-[(2-chloro-4-methylphenyl)sulfamoyl]-3,3-dimethyl-2-oxoindol-1-yl]acetate
SMILESCOC(=O)CN1C(=O)C(C)(C)c2cc(S(=O)(=O)Nc3ccc(C)cc3Cl)ccc21
InChIInChI=1S/C20H21ClN2O5S/c1-12-5-7-16(15(21)9-12)22-29(26,27)13-6-8-17-14(10-13)20(2,3)19(25)23(17)11-18(24)28-4/h5-10,22H,11H2,1-4H3
InChIKeyGXKHZONZEULFAP-UHFFFAOYSA-N
MW436.92 g/mol
LogP3.25
Rot. Bonds5

About methyl 2-[5-[(2-chloro-4-methylphenyl)sulfamoyl]-3,3-dimethyl-2-oxoindol-1-yl]acetate

methyl 2-[5-[(2-chloro-4-methylphenyl)sulfamoyl]-3,3-dimethyl-2-oxoindol-1-yl]acetate (PubChem CID 22583348) has the molecular formula C20H21ClN2O5S and a molecular weight of 436.92 g/mol. Its IUPAC name is methyl 2-[5-[(2-chloro-4-methylphenyl)sulfamoyl]-3,3-dimethyl-2-oxoindol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[(2-chloro-4-methylphenyl)sulfamoyl]-3,3-dimethyl-2-oxoindol-1-yl]acetate
PubChem CID22583348
Molecular FormulaC20H21ClN2O5S
Molecular Weight436.92 g/mol
Exact Mass436.09
IUPAC Namemethyl 2-[5-[(2-chloro-4-methylphenyl)sulfamoyl]-3,3-dimethyl-2-oxoindol-1-yl]acetate
SMILESCOC(=O)CN1C(=O)C(C)(C)c2cc(S(=O)(=O)Nc3ccc(C)cc3Cl)ccc21
InChIInChI=1S/C20H21ClN2O5S/c1-12-5-7-16(15(21)9-12)22-29(26,27)13-6-8-17-14(10-13)20(2,3)19(25)23(17)11-18(24)28-4/h5-10,22H,11H2,1-4H3
InChIKeyGXKHZONZEULFAP-UHFFFAOYSA-N
XLogP3.25
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.92
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[5-[(2-chloro-4-methylphenyl)sulfamoyl]-3,3-dimethyl-2-oxoindol-1-yl]acetate with MolForge

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Related Compounds

2-[3,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-2-oxoindol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 50767589
N-(3,5-dimethoxyphenyl)-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide
CID 53057438
4-amino-3-bromo-N-(2-chloro-4-methylphenyl)benzenesulfonamide
CID 62058562
3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzenesulfonamide
CID 28967482
2-(3,3-dimethyl-2-oxo-5-piperidin-1-ylsulfonylindol-1-yl)-N-(2-methylphenyl)acetamide
CID 50767639
methyl 2-[3,3-dimethyl-2-oxo-5-(2-phenoxyethylsulfonylamino)indol-1-yl]acetate
CID 91956260
N-(2-chloro-4-methylphenyl)-4-ethoxybenzenesulfonamide
CID 7514268
3-[4-[(2-chloro-4-methylphenyl)sulfamoyl]phenyl]propanoic acid
CID 7516441
N-[(4-chlorophenyl)methyl]-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide
CID 53057430
methyl 2-[5-(3-cyclopentylpropanoylamino)-3,3-dimethyl-2-oxoindol-1-yl]acetate
CID 75538513
N-(2-chloro-4-methylphenyl)-4-(ethylamino)benzenesulfonamide
CID 62145281
ethyl 2-[6-[(2,3-dichlorophenyl)sulfonylamino]-3,3-dimethyl-2-oxoindol-1-yl]acetate
CID 176656736

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[(2-chloro-4-methylphenyl)sulfamoyl]-3,3-dimethyl-2-oxoindol-1-yl]acetate?
The IUPAC name of methyl 2-[5-[(2-chloro-4-methylphenyl)sulfamoyl]-3,3-dimethyl-2-oxoindol-1-yl]acetate (CID 22583348) is methyl 2-[5-[(2-chloro-4-methylphenyl)sulfamoyl]-3,3-dimethyl-2-oxoindol-1-yl]acetate.
What is the SMILES notation for methyl 2-[5-[(2-chloro-4-methylphenyl)sulfamoyl]-3,3-dimethyl-2-oxoindol-1-yl]acetate?
The canonical SMILES for methyl 2-[5-[(2-chloro-4-methylphenyl)sulfamoyl]-3,3-dimethyl-2-oxoindol-1-yl]acetate is COC(=O)CN1C(=O)C(C)(C)c2cc(S(=O)(=O)Nc3ccc(C)cc3Cl)ccc21.
What is the InChIKey of methyl 2-[5-[(2-chloro-4-methylphenyl)sulfamoyl]-3,3-dimethyl-2-oxoindol-1-yl]acetate?
The InChIKey is GXKHZONZEULFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O5S/c1-12-5-7-16(15(21)9-12)22-29(26,27)13-6-8-17-14(10-13)20(2,3)19(25)23(17)11-18(24)28-4/h5-10,22H,11H2,1-4H3.
What are the key properties of methyl 2-[5-[(2-chloro-4-methylphenyl)sulfamoyl]-3,3-dimethyl-2-oxoindol-1-yl]acetate?
methyl 2-[5-[(2-chloro-4-methylphenyl)sulfamoyl]-3,3-dimethyl-2-oxoindol-1-yl]acetate has a molecular weight of 436.92 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[(2-chloro-4-methylphenyl)sulfamoyl]-3,3-dimethyl-2-oxoindol-1-yl]acetate is sourced from PubChem (CID 22583348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).