1-(2,6-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride

C12H17Cl3N2O2S — CID 119978998

IUPAC1-(2,6-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride
SMILESCN(C1CCNC1)S(=O)(=O)Cc1c(Cl)cccc1Cl.Cl
InChIInChI=1S/C12H16Cl2N2O2S.ClH/c1-16(9-5-6-15-7-9)19(17,18)8-10-11(13)3-2-4-12(10)14;/h2-4,9,15H,5-8H2,1H3;1H
InChIKeyTXRGNQPQZWGPJI-UHFFFAOYSA-N
MW359.71 g/mol
LogP2.54
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride

1-(2,6-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride (PubChem CID 119978998) has the molecular formula C12H17Cl3N2O2S and a molecular weight of 359.71 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride
PubChem CID119978998
Molecular FormulaC12H17Cl3N2O2S
Molecular Weight359.71 g/mol
Exact Mass358.01
IUPAC Name1-(2,6-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride
SMILESCN(C1CCNC1)S(=O)(=O)Cc1c(Cl)cccc1Cl.Cl
InChIInChI=1S/C12H16Cl2N2O2S.ClH/c1-16(9-5-6-15-7-9)19(17,18)8-10-11(13)3-2-4-12(10)14;/h2-4,9,15H,5-8H2,1H3;1H
InChIKeyTXRGNQPQZWGPJI-UHFFFAOYSA-N
XLogP2.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.71
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119978751
3-chloro-2-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 114321079
1-(3-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride
CID 119978713
1-cyclopropyl-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride
CID 119998770
1-(3-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide
CID 119978714
2-(2,6-dichlorophenyl)-N-methyl-N-piperidin-4-ylacetamide
CID 119444226
4-chloro-N-methyl-N-pyrrolidin-3-ylnaphthalene-1-sulfonamide;hydrochloride
CID 119978801
N-[(2,6-dichlorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 55204961
2-(2-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119553666
N-methyl-1-(2-nitrophenyl)-N-pyrrolidin-3-ylmethanesulfonamide
CID 63297855
4-chloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298347
1-cyclohexyl-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride
CID 119978920

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride?
The IUPAC name of 1-(2,6-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride (CID 119978998) is 1-(2,6-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride?
The canonical SMILES for 1-(2,6-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride is CN(C1CCNC1)S(=O)(=O)Cc1c(Cl)cccc1Cl.Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride?
The InChIKey is TXRGNQPQZWGPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2S.ClH/c1-16(9-5-6-15-7-9)19(17,18)8-10-11(13)3-2-4-12(10)14;/h2-4,9,15H,5-8H2,1H3;1H.
What are the key properties of 1-(2,6-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride?
1-(2,6-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride has a molecular weight of 359.71 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride is sourced from PubChem (CID 119978998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).