N-(4-morpholin-4-ylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide

C21H25N3O4S — CID 1034346

IUPACN-(4-morpholin-4-ylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C21H25N3O4S/c25-21(22-18-6-8-19(9-7-18)23-12-14-28-15-13-23)17-4-3-5-20(16-17)29(26,27)24-10-1-2-11-24/h3-9,16H,1-2,10-15H2,(H,22,25)
InChIKeyYQLSIQJUIGXXSD-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.56
Rot. Bonds5

About N-(4-morpholin-4-ylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide

N-(4-morpholin-4-ylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 1034346) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID1034346
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC NameN-(4-morpholin-4-ylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C21H25N3O4S/c25-21(22-18-6-8-19(9-7-18)23-12-14-28-15-13-23)17-4-3-5-20(16-17)29(26,27)24-10-1-2-11-24/h3-9,16H,1-2,10-15H2,(H,22,25)
InChIKeyYQLSIQJUIGXXSD-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-3-(4-hydroxypiperidin-1-yl)sulfonyl-N-(3,4,5-trifluorophenyl)benzamide
CID 89663273
N-(4-methylphenyl)-3-(piperidin-1-ylcarbonyl)benzenesulfonamide
CID 2361079
N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
2-(2-methoxyethyl)-N-[4-(morpholin-4-ylsulfonyl)phenyl]-3-oxoisoindoline-4-carboxamide
CID 6619553
4-methyl-N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]benzamide
CID 738960
3-[(dimethylamino)sulfonyl]-N-{2-[(4-methyl-1-piperidinyl)carbonyl]phenyl}benzamide
CID 992258
2-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 1010558
4-methyl-N-[2-(4-morpholinylcarbonyl)phenyl]benzenesulfonamide
CID 1049836
N-(2-Ethyl-phenyl)-4-(pyrrolidine-1-sulfonyl)-benzamide
CID 1428538
N-benzyl-3-(4-phenylpiperazine-1-carbonyl)benzenesulfonamide
CID 2315073
N-cyclopentyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2358978

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide (CID 1034346) is N-(4-morpholin-4-ylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1ccc(N2CCOCC2)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is YQLSIQJUIGXXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c25-21(22-18-6-8-19(9-7-18)23-12-14-28-15-13-23)17-4-3-5-20(16-17)29(26,27)24-10-1-2-11-24/h3-9,16H,1-2,10-15H2,(H,22,25).
What are the key properties of N-(4-morpholin-4-ylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
N-(4-morpholin-4-ylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide 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 N-(4-morpholin-4-ylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1034346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).