1-N-(5-chloro-2-pyridinyl)-2-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide

C22H21ClN6O4S — CID 21026122

IUPAC1-N-(5-chloro-2-pyridinyl)-2-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CCCN2C(=O)Nc2ccc(Cl)cn2)nc1
InChIInChI=1S/C22H21ClN6O4S/c23-15-8-10-20(26-13-15)28-22(31)29-11-3-5-17(29)21(30)27-19-9-7-14(12-25-19)16-4-1-2-6-18(16)34(24,32)33/h1-2,4,6-10,12-13,17H,3,5,11H2,(H2,24,32,33)(H,25,27,30)(H,26,28,31)
InChIKeyHYPPKEZGOOVFIY-UHFFFAOYSA-N
MW500.97 g/mol
LogP3.08
Rot. Bonds5

About 1-N-(5-chloro-2-pyridinyl)-2-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide

1-N-(5-chloro-2-pyridinyl)-2-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 21026122) has the molecular formula C22H21ClN6O4S and a molecular weight of 500.97 g/mol. Its IUPAC name is 1-N-(5-chloro-2-pyridinyl)-2-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(5-chloro-2-pyridinyl)-2-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide
PubChem CID21026122
Molecular FormulaC22H21ClN6O4S
Molecular Weight500.97 g/mol
Exact Mass500.10
IUPAC Name1-N-(5-chloro-2-pyridinyl)-2-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CCCN2C(=O)Nc2ccc(Cl)cn2)nc1
InChIInChI=1S/C22H21ClN6O4S/c23-15-8-10-20(26-13-15)28-22(31)29-11-3-5-17(29)21(30)27-19-9-7-14(12-25-19)16-4-1-2-6-18(16)34(24,32)33/h1-2,4,6-10,12-13,17H,3,5,11H2,(H2,24,32,33)(H,25,27,30)(H,26,28,31)
InChIKeyHYPPKEZGOOVFIY-UHFFFAOYSA-N
XLogP3.08
TPSA147.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.97
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-N-(5-chloro-2-pyridinyl)-2-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(5-chloro-2-pyridinyl)-2-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide (CID 21026122) is 1-N-(5-chloro-2-pyridinyl)-2-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(5-chloro-2-pyridinyl)-2-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(5-chloro-2-pyridinyl)-2-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide is NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CCCN2C(=O)Nc2ccc(Cl)cn2)nc1.
What is the InChIKey of 1-N-(5-chloro-2-pyridinyl)-2-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is HYPPKEZGOOVFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O4S/c23-15-8-10-20(26-13-15)28-22(31)29-11-3-5-17(29)21(30)27-19-9-7-14(12-25-19)16-4-1-2-6-18(16)34(24,32)33/h1-2,4,6-10,12-13,17H,3,5,11H2,(H2,24,32,33)(H,25,27,30)(H,26,28,31).
What are the key properties of 1-N-(5-chloro-2-pyridinyl)-2-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide?
1-N-(5-chloro-2-pyridinyl)-2-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 500.97 g/mol, XLogP of 3.08, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-chloro-2-pyridinyl)-2-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 21026122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).