N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylsulfonylbenzamide

C19H21ClN2O3S — CID 136579315

IUPACN-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)NCC1CCN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H21ClN2O3S/c1-26(24,25)18-5-3-2-4-17(18)19(23)21-12-14-10-11-22(13-14)16-8-6-15(20)7-9-16/h2-9,14H,10-13H2,1H3,(H,21,23)
InChIKeyWMSNRMQXNRQKSE-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.00
Rot. Bonds5

About N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylsulfonylbenzamide

N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylsulfonylbenzamide (PubChem CID 136579315) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylsulfonylbenzamide
PubChem CID136579315
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC NameN-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)NCC1CCN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H21ClN2O3S/c1-26(24,25)18-5-3-2-4-17(18)19(23)21-12-14-10-11-22(13-14)16-8-6-15(20)7-9-16/h2-9,14H,10-13H2,1H3,(H,21,23)
InChIKeyWMSNRMQXNRQKSE-UHFFFAOYSA-N
XLogP3.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957578
N-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]propanamide
CID 94799317
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-ethylbutanamide
CID 110640634
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
CID 47445976
2-chloro-N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
CID 110640667
2-methoxy-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110413741
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-4,4-dimethylpiperidine-1-carboxamide
CID 166184698
N-[2-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methylamino]-2-oxoethyl]butanamide
CID 94814610
3-ethynyl-2-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 167781608
4-(methanesulfonamido)-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 47026976
4-acetyl-N-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 94799655
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-4-propan-2-ylpiperidine-1-carboxamide
CID 166217219

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylsulfonylbenzamide?
The IUPAC name of N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylsulfonylbenzamide (CID 136579315) is N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylsulfonylbenzamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylsulfonylbenzamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylsulfonylbenzamide is CS(=O)(=O)c1ccccc1C(=O)NCC1CCN(c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylsulfonylbenzamide?
The InChIKey is WMSNRMQXNRQKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-26(24,25)18-5-3-2-4-17(18)19(23)21-12-14-10-11-22(13-14)16-8-6-15(20)7-9-16/h2-9,14H,10-13H2,1H3,(H,21,23).
What are the key properties of N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylsulfonylbenzamide?
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylsulfonylbenzamide has a molecular weight of 392.91 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylsulfonylbenzamide is sourced from PubChem (CID 136579315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).