(3R)-1-(4-chlorophenyl)-5-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide

C22H24ClN3O5S — CID 41002417

IUPAC(3R)-1-(4-chlorophenyl)-5-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C22H24ClN3O5S/c23-16-3-7-18(8-4-16)26-14-15(12-21(26)27)22(28)25-17-5-9-20(10-6-17)32(29,30)24-13-19-2-1-11-31-19/h3-10,15,19,24H,1-2,11-14H2,(H,25,28)/t15-,19+/m1/s1
InChIKeyZZEFRHPJZHDMRK-BEFAXECRSA-N
MW477.97 g/mol
LogP2.79
Rot. Bonds7

About (3R)-1-(4-chlorophenyl)-5-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide

(3R)-1-(4-chlorophenyl)-5-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide (PubChem CID 41002417) has the molecular formula C22H24ClN3O5S and a molecular weight of 477.97 g/mol. Its IUPAC name is (3R)-1-(4-chlorophenyl)-5-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-chlorophenyl)-5-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide
PubChem CID41002417
Molecular FormulaC22H24ClN3O5S
Molecular Weight477.97 g/mol
Exact Mass477.11
IUPAC Name(3R)-1-(4-chlorophenyl)-5-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C22H24ClN3O5S/c23-16-3-7-18(8-4-16)26-14-15(12-21(26)27)22(28)25-17-5-9-20(10-6-17)32(29,30)24-13-19-2-1-11-31-19/h3-10,15,19,24H,1-2,11-14H2,(H,25,28)/t15-,19+/m1/s1
InChIKeyZZEFRHPJZHDMRK-BEFAXECRSA-N
XLogP2.79
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.97
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(4-fluorophenyl)-5-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide
CID 41002454
(3R)-5-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]-1-phenylpyrrolidine-3-carboxamide
CID 41002376
(3S)-1-(4-ethylphenyl)-5-oxo-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide
CID 40964170
1-tert-butyl-5-oxo-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 6497371
(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide
CID 40964069
4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 767831
N-(4-chlorophenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182741
1-(4-chlorophenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113187469
4-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 2983118
4-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2939658
N-(4-acetylphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 3114278
(3S)-N-(4-acetylphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 7375127

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-chlorophenyl)-5-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-chlorophenyl)-5-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide (CID 41002417) is (3R)-1-(4-chlorophenyl)-5-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-chlorophenyl)-5-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-chlorophenyl)-5-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide is O=C(Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of (3R)-1-(4-chlorophenyl)-5-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide?
The InChIKey is ZZEFRHPJZHDMRK-BEFAXECRSA-N. The full InChI is InChI=1S/C22H24ClN3O5S/c23-16-3-7-18(8-4-16)26-14-15(12-21(26)27)22(28)25-17-5-9-20(10-6-17)32(29,30)24-13-19-2-1-11-31-19/h3-10,15,19,24H,1-2,11-14H2,(H,25,28)/t15-,19+/m1/s1.
What are the key properties of (3R)-1-(4-chlorophenyl)-5-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide?
(3R)-1-(4-chlorophenyl)-5-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide has a molecular weight of 477.97 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-chlorophenyl)-5-oxo-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 41002417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).