5-[benzyl(methyl)sulfamoyl]-N-[(3R)-1-benzylpyrrolidin-3-yl]-2-chlorobenzamide

C26H28ClN3O3S — CID 41013038

IUPAC5-[benzyl(methyl)sulfamoyl]-N-[(3R)-1-benzylpyrrolidin-3-yl]-2-chlorobenzamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1
InChIInChI=1S/C26H28ClN3O3S/c1-29(17-20-8-4-2-5-9-20)34(32,33)23-12-13-25(27)24(16-23)26(31)28-22-14-15-30(19-22)18-21-10-6-3-7-11-21/h2-13,16,22H,14-15,17-19H2,1H3,(H,28,31)/t22-/m1/s1
InChIKeyWXWQCFGXRJFLEJ-JOCHJYFZSA-N
MW498.05 g/mol
LogP4.16
Rot. Bonds8

About 5-[benzyl(methyl)sulfamoyl]-N-[(3R)-1-benzylpyrrolidin-3-yl]-2-chlorobenzamide

5-[benzyl(methyl)sulfamoyl]-N-[(3R)-1-benzylpyrrolidin-3-yl]-2-chlorobenzamide (PubChem CID 41013038) has the molecular formula C26H28ClN3O3S and a molecular weight of 498.05 g/mol. Its IUPAC name is 5-[benzyl(methyl)sulfamoyl]-N-[(3R)-1-benzylpyrrolidin-3-yl]-2-chlorobenzamide.

Molecular Properties

Compound Name5-[benzyl(methyl)sulfamoyl]-N-[(3R)-1-benzylpyrrolidin-3-yl]-2-chlorobenzamide
PubChem CID41013038
Molecular FormulaC26H28ClN3O3S
Molecular Weight498.05 g/mol
Exact Mass497.15
IUPAC Name5-[benzyl(methyl)sulfamoyl]-N-[(3R)-1-benzylpyrrolidin-3-yl]-2-chlorobenzamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1
InChIInChI=1S/C26H28ClN3O3S/c1-29(17-20-8-4-2-5-9-20)34(32,33)23-12-13-25(27)24(16-23)26(31)28-22-14-15-30(19-22)18-21-10-6-3-7-11-21/h2-13,16,22H,14-15,17-19H2,1H3,(H,28,31)/t22-/m1/s1
InChIKeyWXWQCFGXRJFLEJ-JOCHJYFZSA-N
XLogP4.16
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.05
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[benzyl(methyl)sulfamoyl]-2-chloro-N-[2-(cyclopentylcarbamoyl)phenyl]benzamide
CID 16548325
N-[(3S)-1-benzylpyrrolidin-3-yl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 25328833
5-[benzyl(methyl)sulfamoyl]-2-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 3879149
N-benzyl-4-chloro-N-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 24540046
N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-fluorobenzamide
CID 18156432
4-[(1-benzylpyrrolidin-3-yl)sulfamoyl]-2-chlorobenzoic acid
CID 113437746
N-(1-benzylpyrrolidin-3-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 46684557
N-benzyl-5-[benzyl(methyl)sulfamoyl]-2-chloro-N-methylbenzamide
CID 24539973
N-(1-benzylpyrrolidin-3-yl)-4-chloro-3-sulfamoylbenzamide
CID 3464249
N-(1-benzylpyrrolidin-3-yl)-2,4-dimethylbenzamide
CID 18156319
4-benzamido-N-[(3S)-1-benzylpyrrolidin-3-yl]-5-chloro-2-methoxybenzamide
CID 10623982
N-(1-benzylpyrrolidin-3-yl)-2-hydroxy-4-methylbenzamide
CID 55376410

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(methyl)sulfamoyl]-N-[(3R)-1-benzylpyrrolidin-3-yl]-2-chlorobenzamide?
The IUPAC name of 5-[benzyl(methyl)sulfamoyl]-N-[(3R)-1-benzylpyrrolidin-3-yl]-2-chlorobenzamide (CID 41013038) is 5-[benzyl(methyl)sulfamoyl]-N-[(3R)-1-benzylpyrrolidin-3-yl]-2-chlorobenzamide.
What is the SMILES notation for 5-[benzyl(methyl)sulfamoyl]-N-[(3R)-1-benzylpyrrolidin-3-yl]-2-chlorobenzamide?
The canonical SMILES for 5-[benzyl(methyl)sulfamoyl]-N-[(3R)-1-benzylpyrrolidin-3-yl]-2-chlorobenzamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1.
What is the InChIKey of 5-[benzyl(methyl)sulfamoyl]-N-[(3R)-1-benzylpyrrolidin-3-yl]-2-chlorobenzamide?
The InChIKey is WXWQCFGXRJFLEJ-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H28ClN3O3S/c1-29(17-20-8-4-2-5-9-20)34(32,33)23-12-13-25(27)24(16-23)26(31)28-22-14-15-30(19-22)18-21-10-6-3-7-11-21/h2-13,16,22H,14-15,17-19H2,1H3,(H,28,31)/t22-/m1/s1.
What are the key properties of 5-[benzyl(methyl)sulfamoyl]-N-[(3R)-1-benzylpyrrolidin-3-yl]-2-chlorobenzamide?
5-[benzyl(methyl)sulfamoyl]-N-[(3R)-1-benzylpyrrolidin-3-yl]-2-chlorobenzamide has a molecular weight of 498.05 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(methyl)sulfamoyl]-N-[(3R)-1-benzylpyrrolidin-3-yl]-2-chlorobenzamide is sourced from PubChem (CID 41013038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).