1-(4-chlorophenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide

C20H17ClN4O4S2 — CID 6497604

IUPAC1-(4-chlorophenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H17ClN4O4S2/c21-14-1-5-16(6-2-14)25-12-13(11-18(25)26)19(27)23-15-3-7-17(8-4-15)31(28,29)24-20-22-9-10-30-20/h1-10,13H,11-12H2,(H,22,24)(H,23,27)
InChIKeyRZFQZXGCYVBPPB-UHFFFAOYSA-N
MW476.97 g/mol
LogP3.59
Rot. Bonds6

About 1-(4-chlorophenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide

1-(4-chlorophenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 6497604) has the molecular formula C20H17ClN4O4S2 and a molecular weight of 476.97 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID6497604
Molecular FormulaC20H17ClN4O4S2
Molecular Weight476.97 g/mol
Exact Mass476.04
IUPAC Name1-(4-chlorophenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H17ClN4O4S2/c21-14-1-5-16(6-2-14)25-12-13(11-18(25)26)19(27)23-15-3-7-17(8-4-15)31(28,29)24-20-22-9-10-30-20/h1-10,13H,11-12H2,(H,22,24)(H,23,27)
InChIKeyRZFQZXGCYVBPPB-UHFFFAOYSA-N
XLogP3.59
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.97
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide (CID 6497604) is 1-(4-chlorophenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is RZFQZXGCYVBPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O4S2/c21-14-1-5-16(6-2-14)25-12-13(11-18(25)26)19(27)23-15-3-7-17(8-4-15)31(28,29)24-20-22-9-10-30-20/h1-10,13H,11-12H2,(H,22,24)(H,23,27).
What are the key properties of 1-(4-chlorophenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide?
1-(4-chlorophenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 476.97 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 6497604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).