N-[2-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpropyl]-4-(methanesulfonamido)benzamide;hydrochloride

C21H26Cl3N3O3S — CID 19855955

IUPACN-[2-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpropyl]-4-(methanesulfonamido)benzamide;hydrochloride
SMILESCS(=O)(=O)Nc1ccc(C(=O)NCC(CN2CCCC2)c2ccc(Cl)c(Cl)c2)cc1.Cl
InChIInChI=1S/C21H25Cl2N3O3S.ClH/c1-30(28,29)25-18-7-4-15(5-8-18)21(27)24-13-17(14-26-10-2-3-11-26)16-6-9-19(22)20(23)12-16;/h4-9,12,17,25H,2-3,10-11,13-14H2,1H3,(H,24,27);1H
InChIKeyYCFFEPPRMFZLMK-UHFFFAOYSA-N
MW506.88 g/mol
LogP4.40
Rot. Bonds8

About N-[2-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpropyl]-4-(methanesulfonamido)benzamide;hydrochloride

N-[2-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpropyl]-4-(methanesulfonamido)benzamide;hydrochloride (PubChem CID 19855955) has the molecular formula C21H26Cl3N3O3S and a molecular weight of 506.88 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpropyl]-4-(methanesulfonamido)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpropyl]-4-(methanesulfonamido)benzamide;hydrochloride
PubChem CID19855955
Molecular FormulaC21H26Cl3N3O3S
Molecular Weight506.88 g/mol
Exact Mass505.08
IUPAC NameN-[2-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpropyl]-4-(methanesulfonamido)benzamide;hydrochloride
SMILESCS(=O)(=O)Nc1ccc(C(=O)NCC(CN2CCCC2)c2ccc(Cl)c(Cl)c2)cc1.Cl
InChIInChI=1S/C21H25Cl2N3O3S.ClH/c1-30(28,29)25-18-7-4-15(5-8-18)21(27)24-13-17(14-26-10-2-3-11-26)16-6-9-19(22)20(23)12-16;/h4-9,12,17,25H,2-3,10-11,13-14H2,1H3,(H,24,27);1H
InChIKeyYCFFEPPRMFZLMK-UHFFFAOYSA-N
XLogP4.40
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.88
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpropyl]-4-(methanesulfonamido)benzamide;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

4-(methanesulfonamido)-N-(2-phenylbutyl)benzamide
CID 46510116
4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 55834264
4-(methanesulfonamido)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 42121264
N-[4-(3,4-dichlorophenyl)-2-methyl-4-oxo-3-(piperidin-1-ylmethyl)butyl]-4-methylbenzamide
CID 57016393
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(methanesulfonamido)benzamide
CID 51962923
1-(3,4-dichlorophenyl)-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea
CID 110923508
3-bromo-4-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 107999448
3,4-dichloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
CID 110444164
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 55947980
4-bromo-3-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 81295079
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-4-(methanesulfonamido)benzamide
CID 167910678
4-(methanesulfonamido)-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]benzamide
CID 25331278

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpropyl]-4-(methanesulfonamido)benzamide;hydrochloride?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpropyl]-4-(methanesulfonamido)benzamide;hydrochloride (CID 19855955) is N-[2-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpropyl]-4-(methanesulfonamido)benzamide;hydrochloride.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpropyl]-4-(methanesulfonamido)benzamide;hydrochloride?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpropyl]-4-(methanesulfonamido)benzamide;hydrochloride is CS(=O)(=O)Nc1ccc(C(=O)NCC(CN2CCCC2)c2ccc(Cl)c(Cl)c2)cc1.Cl.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpropyl]-4-(methanesulfonamido)benzamide;hydrochloride?
The InChIKey is YCFFEPPRMFZLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O3S.ClH/c1-30(28,29)25-18-7-4-15(5-8-18)21(27)24-13-17(14-26-10-2-3-11-26)16-6-9-19(22)20(23)12-16;/h4-9,12,17,25H,2-3,10-11,13-14H2,1H3,(H,24,27);1H.
What are the key properties of N-[2-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpropyl]-4-(methanesulfonamido)benzamide;hydrochloride?
N-[2-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpropyl]-4-(methanesulfonamido)benzamide;hydrochloride has a molecular weight of 506.88 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)-3-pyrrolidin-1-ylpropyl]-4-(methanesulfonamido)benzamide;hydrochloride is sourced from PubChem (CID 19855955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).