4-(2-chlorophenyl)sulfonyl-1-[2-(5-chloropyrimidin-2-yl)acetyl]-N-(1-methylcyclopropyl)pyrrolidine-2-carboxamide

C21H22Cl2N4O4S — CID 91167510

IUPAC4-(2-chlorophenyl)sulfonyl-1-[2-(5-chloropyrimidin-2-yl)acetyl]-N-(1-methylcyclopropyl)pyrrolidine-2-carboxamide
SMILESCC1(NC(=O)C2CC(S(=O)(=O)c3ccccc3Cl)CN2C(=O)Cc2ncc(Cl)cn2)CC1
InChIInChI=1S/C21H22Cl2N4O4S/c1-21(6-7-21)26-20(29)16-8-14(32(30,31)17-5-3-2-4-15(17)23)12-27(16)19(28)9-18-24-10-13(22)11-25-18/h2-5,10-11,14,16H,6-9,12H2,1H3,(H,26,29)
InChIKeyCMYZDXSQIRGNEZ-UHFFFAOYSA-N
MW497.40 g/mol
LogP2.44
Rot. Bonds6

About 4-(2-chlorophenyl)sulfonyl-1-[2-(5-chloropyrimidin-2-yl)acetyl]-N-(1-methylcyclopropyl)pyrrolidine-2-carboxamide

4-(2-chlorophenyl)sulfonyl-1-[2-(5-chloropyrimidin-2-yl)acetyl]-N-(1-methylcyclopropyl)pyrrolidine-2-carboxamide (PubChem CID 91167510) has the molecular formula C21H22Cl2N4O4S and a molecular weight of 497.40 g/mol. Its IUPAC name is 4-(2-chlorophenyl)sulfonyl-1-[2-(5-chloropyrimidin-2-yl)acetyl]-N-(1-methylcyclopropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)sulfonyl-1-[2-(5-chloropyrimidin-2-yl)acetyl]-N-(1-methylcyclopropyl)pyrrolidine-2-carboxamide
PubChem CID91167510
Molecular FormulaC21H22Cl2N4O4S
Molecular Weight497.40 g/mol
Exact Mass496.07
IUPAC Name4-(2-chlorophenyl)sulfonyl-1-[2-(5-chloropyrimidin-2-yl)acetyl]-N-(1-methylcyclopropyl)pyrrolidine-2-carboxamide
SMILESCC1(NC(=O)C2CC(S(=O)(=O)c3ccccc3Cl)CN2C(=O)Cc2ncc(Cl)cn2)CC1
InChIInChI=1S/C21H22Cl2N4O4S/c1-21(6-7-21)26-20(29)16-8-14(32(30,31)17-5-3-2-4-15(17)23)12-27(16)19(28)9-18-24-10-13(22)11-25-18/h2-5,10-11,14,16H,6-9,12H2,1H3,(H,26,29)
InChIKeyCMYZDXSQIRGNEZ-UHFFFAOYSA-N
XLogP2.44
TPSA109.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2-chlorophenyl)sulfonyl-1-[2-(5-chloropyrimidin-2-yl)acetyl]-N-(1-methylcyclopropyl)pyrrolidine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)sulfonyl-1-[2-(5-chloropyrimidin-2-yl)acetyl]-N-(1-methylcyclopropyl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)sulfonyl-1-[2-(5-chloropyrimidin-2-yl)acetyl]-N-(1-methylcyclopropyl)pyrrolidine-2-carboxamide (CID 91167510) is 4-(2-chlorophenyl)sulfonyl-1-[2-(5-chloropyrimidin-2-yl)acetyl]-N-(1-methylcyclopropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)sulfonyl-1-[2-(5-chloropyrimidin-2-yl)acetyl]-N-(1-methylcyclopropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)sulfonyl-1-[2-(5-chloropyrimidin-2-yl)acetyl]-N-(1-methylcyclopropyl)pyrrolidine-2-carboxamide is CC1(NC(=O)C2CC(S(=O)(=O)c3ccccc3Cl)CN2C(=O)Cc2ncc(Cl)cn2)CC1.
What is the InChIKey of 4-(2-chlorophenyl)sulfonyl-1-[2-(5-chloropyrimidin-2-yl)acetyl]-N-(1-methylcyclopropyl)pyrrolidine-2-carboxamide?
The InChIKey is CMYZDXSQIRGNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N4O4S/c1-21(6-7-21)26-20(29)16-8-14(32(30,31)17-5-3-2-4-15(17)23)12-27(16)19(28)9-18-24-10-13(22)11-25-18/h2-5,10-11,14,16H,6-9,12H2,1H3,(H,26,29).
What are the key properties of 4-(2-chlorophenyl)sulfonyl-1-[2-(5-chloropyrimidin-2-yl)acetyl]-N-(1-methylcyclopropyl)pyrrolidine-2-carboxamide?
4-(2-chlorophenyl)sulfonyl-1-[2-(5-chloropyrimidin-2-yl)acetyl]-N-(1-methylcyclopropyl)pyrrolidine-2-carboxamide has a molecular weight of 497.40 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)sulfonyl-1-[2-(5-chloropyrimidin-2-yl)acetyl]-N-(1-methylcyclopropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 91167510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).