[1-(3,4-dichlorobenzoyl)pyrrolidin-3-yl]methanesulfonamide

C12H14Cl2N2O3S — CID 118779062

IUPAC[1-(3,4-dichlorobenzoyl)pyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C12H14Cl2N2O3S/c13-10-2-1-9(5-11(10)14)12(17)16-4-3-8(6-16)7-20(15,18)19/h1-2,5,8H,3-4,6-7H2,(H2,15,18,19)
InChIKeyMXGLSHARLNPOSI-UHFFFAOYSA-N
MW337.23 g/mol
LogP1.74
Rot. Bonds3

About [1-(3,4-dichlorobenzoyl)pyrrolidin-3-yl]methanesulfonamide

[1-(3,4-dichlorobenzoyl)pyrrolidin-3-yl]methanesulfonamide (PubChem CID 118779062) has the molecular formula C12H14Cl2N2O3S and a molecular weight of 337.23 g/mol. Its IUPAC name is [1-(3,4-dichlorobenzoyl)pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(3,4-dichlorobenzoyl)pyrrolidin-3-yl]methanesulfonamide
PubChem CID118779062
Molecular FormulaC12H14Cl2N2O3S
Molecular Weight337.23 g/mol
Exact Mass336.01
IUPAC Name[1-(3,4-dichlorobenzoyl)pyrrolidin-3-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C12H14Cl2N2O3S/c13-10-2-1-9(5-11(10)14)12(17)16-4-3-8(6-16)7-20(15,18)19/h1-2,5,8H,3-4,6-7H2,(H2,15,18,19)
InChIKeyMXGLSHARLNPOSI-UHFFFAOYSA-N
XLogP1.74
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminopyrrolidin-1-yl)-(3,4-dichlorophenyl)methanone
CID 59657843
[3-(2-bromoethyl)pyrrolidin-1-yl]-(3,4-dichlorophenyl)methanone
CID 114801684
(3,4-dichlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261191
[(3S)-1-(2-chloro-4,5-difluorobenzoyl)pyrrolidin-3-yl]methanesulfonamide
CID 125173276
[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3,4-dichlorophenyl)methanone
CID 129357837
[(3S)-1-[3-(3-aminopropoxy)-4-methylbenzoyl]pyrrolidin-3-yl]methanesulfonamide
CID 126452301
(4-amino-3-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 113416770
(4-amino-3,5-dichlorophenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 112548037
[3-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 112701263
[3-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-fluorophenyl)methanone
CID 82878692
(3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390830
(3,4-dihydroxyphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 103957455

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dichlorobenzoyl)pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(3,4-dichlorobenzoyl)pyrrolidin-3-yl]methanesulfonamide (CID 118779062) is [1-(3,4-dichlorobenzoyl)pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(3,4-dichlorobenzoyl)pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(3,4-dichlorobenzoyl)pyrrolidin-3-yl]methanesulfonamide is NS(=O)(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of [1-(3,4-dichlorobenzoyl)pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is MXGLSHARLNPOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O3S/c13-10-2-1-9(5-11(10)14)12(17)16-4-3-8(6-16)7-20(15,18)19/h1-2,5,8H,3-4,6-7H2,(H2,15,18,19).
What are the key properties of [1-(3,4-dichlorobenzoyl)pyrrolidin-3-yl]methanesulfonamide?
[1-(3,4-dichlorobenzoyl)pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 337.23 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dichlorobenzoyl)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 118779062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).