methyl 2-[5-[(4-chlorophenyl)sulfamoyl]-2-pyrrolidin-1-ylanilino]-2-oxoacetate

C19H20ClN3O5S — CID 5113515

IUPACmethyl 2-[5-[(4-chlorophenyl)sulfamoyl]-2-pyrrolidin-1-ylanilino]-2-oxoacetate
SMILESCOC(=O)C(=O)Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1N1CCCC1
InChIInChI=1S/C19H20ClN3O5S/c1-28-19(25)18(24)21-16-12-15(8-9-17(16)23-10-2-3-11-23)29(26,27)22-14-6-4-13(20)5-7-14/h4-9,12,22H,2-3,10-11H2,1H3,(H,21,24)
InChIKeyKGAFFLAZGRSQNP-UHFFFAOYSA-N
MW437.91 g/mol
LogP2.85
Rot. Bonds5

About methyl 2-[5-[(4-chlorophenyl)sulfamoyl]-2-pyrrolidin-1-ylanilino]-2-oxoacetate

methyl 2-[5-[(4-chlorophenyl)sulfamoyl]-2-pyrrolidin-1-ylanilino]-2-oxoacetate (PubChem CID 5113515) has the molecular formula C19H20ClN3O5S and a molecular weight of 437.91 g/mol. Its IUPAC name is methyl 2-[5-[(4-chlorophenyl)sulfamoyl]-2-pyrrolidin-1-ylanilino]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[5-[(4-chlorophenyl)sulfamoyl]-2-pyrrolidin-1-ylanilino]-2-oxoacetate
PubChem CID5113515
Molecular FormulaC19H20ClN3O5S
Molecular Weight437.91 g/mol
Exact Mass437.08
IUPAC Namemethyl 2-[5-[(4-chlorophenyl)sulfamoyl]-2-pyrrolidin-1-ylanilino]-2-oxoacetate
SMILESCOC(=O)C(=O)Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1N1CCCC1
InChIInChI=1S/C19H20ClN3O5S/c1-28-19(25)18(24)21-16-12-15(8-9-17(16)23-10-2-3-11-23)29(26,27)22-14-6-4-13(20)5-7-14/h4-9,12,22H,2-3,10-11H2,1H3,(H,21,24)
InChIKeyKGAFFLAZGRSQNP-UHFFFAOYSA-N
XLogP2.85
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.91
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 2-[5-[(4-chlorophenyl)sulfamoyl]-2-pyrrolidin-1-ylanilino]-2-oxoacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[(4-chlorophenyl)sulfamoyl]-2-piperidin-1-ylphenyl]-3-phenoxybenzamide
CID 4257487
N-[5-[(4-methoxyphenyl)sulfamoyl]-2-pyrrolidin-1-ylphenyl]pyridine-4-carboxamide
CID 4857237
N-[[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]carbamothioyl]-4-methylbenzamide
CID 4246175
N-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]thiophene-2-carboxamide
CID 4626135
1-[5-[(4-chlorophenyl)sulfamoyl]-2-pyrrolidin-1-ylphenyl]-3-(oxolan-2-ylmethyl)thiourea
CID 4680841
1-(2,3-dimethylphenyl)-3-[5-[(4-methoxyphenyl)sulfamoyl]-2-pyrrolidin-1-ylphenyl]thiourea
CID 3516620
methyl 2-bromo-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)sulfamoyl]benzoate
CID 55920968
2-(4-bromo-2-methylphenyl)sulfanyl-N-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]acetamide
CID 3483793
2-(4-chlorophenyl)sulfonyl-N-(5-chloro-2-piperidin-1-ylphenyl)acetamide
CID 38705177
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55946324
1-[5-[(4-methoxyphenyl)sulfamoyl]-2-morpholin-4-ylphenyl]-3-phenylurea
CID 4185237
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-chlorobenzenesulfonamide
CID 19684562

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[(4-chlorophenyl)sulfamoyl]-2-pyrrolidin-1-ylanilino]-2-oxoacetate?
The IUPAC name of methyl 2-[5-[(4-chlorophenyl)sulfamoyl]-2-pyrrolidin-1-ylanilino]-2-oxoacetate (CID 5113515) is methyl 2-[5-[(4-chlorophenyl)sulfamoyl]-2-pyrrolidin-1-ylanilino]-2-oxoacetate.
What is the SMILES notation for methyl 2-[5-[(4-chlorophenyl)sulfamoyl]-2-pyrrolidin-1-ylanilino]-2-oxoacetate?
The canonical SMILES for methyl 2-[5-[(4-chlorophenyl)sulfamoyl]-2-pyrrolidin-1-ylanilino]-2-oxoacetate is COC(=O)C(=O)Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1N1CCCC1.
What is the InChIKey of methyl 2-[5-[(4-chlorophenyl)sulfamoyl]-2-pyrrolidin-1-ylanilino]-2-oxoacetate?
The InChIKey is KGAFFLAZGRSQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O5S/c1-28-19(25)18(24)21-16-12-15(8-9-17(16)23-10-2-3-11-23)29(26,27)22-14-6-4-13(20)5-7-14/h4-9,12,22H,2-3,10-11H2,1H3,(H,21,24).
What are the key properties of methyl 2-[5-[(4-chlorophenyl)sulfamoyl]-2-pyrrolidin-1-ylanilino]-2-oxoacetate?
methyl 2-[5-[(4-chlorophenyl)sulfamoyl]-2-pyrrolidin-1-ylanilino]-2-oxoacetate has a molecular weight of 437.91 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[(4-chlorophenyl)sulfamoyl]-2-pyrrolidin-1-ylanilino]-2-oxoacetate is sourced from PubChem (CID 5113515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).