3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide

C21H25N3O4S — CID 2714735

IUPAC3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
SMILESO=C(Nc1ccccc1N1CCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H25N3O4S/c25-21(22-19-8-1-2-9-20(19)23-10-3-4-11-23)17-6-5-7-18(16-17)29(26,27)24-12-14-28-15-13-24/h1-2,5-9,16H,3-4,10-15H2,(H,22,25)
InChIKeyCGJOSFOAOVPLLL-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.56
Rot. Bonds5

About 3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide

3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 2714735) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is 3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
PubChem CID2714735
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC Name3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
SMILESO=C(Nc1ccccc1N1CCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H25N3O4S/c25-21(22-19-8-1-2-9-20(19)23-10-3-4-11-23)17-6-5-7-18(16-17)29(26,27)24-12-14-28-15-13-24/h1-2,5-9,16H,3-4,10-15H2,(H,22,25)
InChIKeyCGJOSFOAOVPLLL-UHFFFAOYSA-N
XLogP2.56
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-iodophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 5217633
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 24979269
N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 55359411
N-(4-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081958
N-[2-(azepan-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 22831307
N-(2-piperidin-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 7550938
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 43024824
3-(dimethylsulfamoyl)-N-(2-piperidin-1-ylphenyl)benzamide
CID 2426815
N-(2-aminophenyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride
CID 119422102
3-[methyl(phenyl)sulfamoyl]-N-(2-morpholin-4-ylphenyl)benzamide
CID 3389026
6-morpholin-4-ylsulfonyl-2-oxo-N-(2-piperidin-1-ylphenyl)-1H-quinoline-4-carboxamide
CID 55329648
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]-N-propylbenzamide
CID 31287521

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide (CID 2714735) is 3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide is O=C(Nc1ccccc1N1CCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is CGJOSFOAOVPLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c25-21(22-19-8-1-2-9-20(19)23-10-3-4-11-23)17-6-5-7-18(16-17)29(26,27)24-12-14-28-15-13-24/h1-2,5-9,16H,3-4,10-15H2,(H,22,25).
What are the key properties of 3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide?
3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 415.52 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 2714735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).