2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide

C21H22ClN3O5S — CID 43013801

IUPAC2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccccc1N1CCCC1=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C21H22ClN3O5S/c22-17-8-7-15(31(28,29)24-10-12-30-13-11-24)14-16(17)21(27)23-18-4-1-2-5-19(18)25-9-3-6-20(25)26/h1-2,4-5,7-8,14H,3,6,9-13H2,(H,23,27)
InChIKeyZLZIIJRXWPTIQK-UHFFFAOYSA-N
MW463.94 g/mol
LogP2.74
Rot. Bonds5

About 2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide

2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide (PubChem CID 43013801) has the molecular formula C21H22ClN3O5S and a molecular weight of 463.94 g/mol. Its IUPAC name is 2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
PubChem CID43013801
Molecular FormulaC21H22ClN3O5S
Molecular Weight463.94 g/mol
Exact Mass463.10
IUPAC Name2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccccc1N1CCCC1=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C21H22ClN3O5S/c22-17-8-7-15(31(28,29)24-10-12-30-13-11-24)14-16(17)21(27)23-18-4-1-2-5-19(18)25-9-3-6-20(25)26/h1-2,4-5,7-8,14H,3,6,9-13H2,(H,23,27)
InChIKeyZLZIIJRXWPTIQK-UHFFFAOYSA-N
XLogP2.74
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.94
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26709772
2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 28590695
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9442082
N-(3-morpholin-4-ylsulfonylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 26542727
2-methyl-5-methylsulfonyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 18166587
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-morpholin-4-ylbenzamide
CID 48987924
2-chloro-N-(3,5-dichlorophenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26591526
N-[2-(butylcarbamoyl)phenyl]-2-chloro-5-morpholin-4-ylsulfonylbenzamide
CID 28590712
N-(2-chlorophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 18195774
N-(3-chloro-2-fluorophenyl)-5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzamide
CID 43000218
N-(3-chloro-2-fluorophenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 26309220
2-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26210560

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The IUPAC name of 2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide (CID 43013801) is 2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The canonical SMILES for 2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide is O=C(Nc1ccccc1N1CCCC1=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The InChIKey is ZLZIIJRXWPTIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O5S/c22-17-8-7-15(31(28,29)24-10-12-30-13-11-24)14-16(17)21(27)23-18-4-1-2-5-19(18)25-9-3-6-20(25)26/h1-2,4-5,7-8,14H,3,6,9-13H2,(H,23,27).
What are the key properties of 2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide has a molecular weight of 463.94 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 43013801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).