N-(1-benzylpyrrolidin-3-yl)-1-(3,4-dichlorophenyl)methanesulfonamide

C18H20Cl2N2O2S — CID 56581910

IUPACN-(1-benzylpyrrolidin-3-yl)-1-(3,4-dichlorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)c(Cl)c1)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H20Cl2N2O2S/c19-17-7-6-15(10-18(17)20)13-25(23,24)21-16-8-9-22(12-16)11-14-4-2-1-3-5-14/h1-7,10,16,21H,8-9,11-13H2
InChIKeyFZQLYOUSLDGPMZ-UHFFFAOYSA-N
MW399.34 g/mol
LogP3.69
Rot. Bonds6

About N-(1-benzylpyrrolidin-3-yl)-1-(3,4-dichlorophenyl)methanesulfonamide

N-(1-benzylpyrrolidin-3-yl)-1-(3,4-dichlorophenyl)methanesulfonamide (PubChem CID 56581910) has the molecular formula C18H20Cl2N2O2S and a molecular weight of 399.34 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-1-(3,4-dichlorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-1-(3,4-dichlorophenyl)methanesulfonamide
PubChem CID56581910
Molecular FormulaC18H20Cl2N2O2S
Molecular Weight399.34 g/mol
Exact Mass398.06
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-1-(3,4-dichlorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)c(Cl)c1)NC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H20Cl2N2O2S/c19-17-7-6-15(10-18(17)20)13-25(23,24)21-16-8-9-22(12-16)11-14-4-2-1-3-5-14/h1-7,10,16,21H,8-9,11-13H2
InChIKeyFZQLYOUSLDGPMZ-UHFFFAOYSA-N
XLogP3.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzoylpiperidin-3-yl)-1-(3,4-dichlorophenyl)methanesulfonamide
CID 56581732
N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
CID 51169833
1-phenyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanesulfonamide
CID 125441693
4-[(1-benzylpyrrolidin-3-yl)sulfamoyl]-2-chlorobenzoic acid
CID 113437746
1-(1-benzylpyrrolidin-3-yl)-3-(3,4-dichlorophenyl)urea
CID 24528876
N-[1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-3-yl]methanesulfonamide
CID 75439395
5-chloro-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]pyridine-2-sulfonamide
CID 130225240
1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine
CID 65469717
N-(1-benzylpyrrolidin-3-yl)-2-bromobenzenesulfonamide
CID 5147376
N-[(3S)-1-benzylpyrrolidin-3-yl]-4-bromobenzenesulfonamide
CID 40783049
2-[(1-benzylpiperidin-3-yl)sulfamoyl]acetic acid
CID 64590673
3-N-(1-benzylpyrrolidin-3-yl)benzene-1,3-disulfonamide
CID 55512031

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-1-(3,4-dichlorophenyl)methanesulfonamide?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-1-(3,4-dichlorophenyl)methanesulfonamide (CID 56581910) is N-(1-benzylpyrrolidin-3-yl)-1-(3,4-dichlorophenyl)methanesulfonamide.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-1-(3,4-dichlorophenyl)methanesulfonamide?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-1-(3,4-dichlorophenyl)methanesulfonamide is O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NC1CCN(Cc2ccccc2)C1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-1-(3,4-dichlorophenyl)methanesulfonamide?
The InChIKey is FZQLYOUSLDGPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O2S/c19-17-7-6-15(10-18(17)20)13-25(23,24)21-16-8-9-22(12-16)11-14-4-2-1-3-5-14/h1-7,10,16,21H,8-9,11-13H2.
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-1-(3,4-dichlorophenyl)methanesulfonamide?
N-(1-benzylpyrrolidin-3-yl)-1-(3,4-dichlorophenyl)methanesulfonamide has a molecular weight of 399.34 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-1-(3,4-dichlorophenyl)methanesulfonamide is sourced from PubChem (CID 56581910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).