2,4-dichloro-N-methyl-5-methylsulfonyl-N-piperidin-4-ylbenzamide

C14H18Cl2N2O3S — CID 154759790

IUPAC2,4-dichloro-N-methyl-5-methylsulfonyl-N-piperidin-4-ylbenzamide
SMILESCN(C(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl)C1CCNCC1
InChIInChI=1S/C14H18Cl2N2O3S/c1-18(9-3-5-17-6-4-9)14(19)10-7-13(22(2,20)21)12(16)8-11(10)15/h7-9,17H,3-6H2,1-2H3
InChIKeyFVDGBQKGGOMPTJ-UHFFFAOYSA-N
MW365.28 g/mol
LogP2.22
Rot. Bonds3

About 2,4-dichloro-N-methyl-5-methylsulfonyl-N-piperidin-4-ylbenzamide

2,4-dichloro-N-methyl-5-methylsulfonyl-N-piperidin-4-ylbenzamide (PubChem CID 154759790) has the molecular formula C14H18Cl2N2O3S and a molecular weight of 365.28 g/mol. Its IUPAC name is 2,4-dichloro-N-methyl-5-methylsulfonyl-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-methyl-5-methylsulfonyl-N-piperidin-4-ylbenzamide
PubChem CID154759790
Molecular FormulaC14H18Cl2N2O3S
Molecular Weight365.28 g/mol
Exact Mass364.04
IUPAC Name2,4-dichloro-N-methyl-5-methylsulfonyl-N-piperidin-4-ylbenzamide
SMILESCN(C(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl)C1CCNCC1
InChIInChI=1S/C14H18Cl2N2O3S/c1-18(9-3-5-17-6-4-9)14(19)10-7-13(22(2,20)21)12(16)8-11(10)15/h7-9,17H,3-6H2,1-2H3
InChIKeyFVDGBQKGGOMPTJ-UHFFFAOYSA-N
XLogP2.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4,5-difluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 119443353
2,4-dichloro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444290
2,4-dichloro-N-methyl-5-methylsulfanyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551765
2,4-dichloro-N-cyclohexyl-5-(cyclopropylsulfamoyl)-N-methylbenzamide
CID 19257581
2-chloro-N-methyl-5-nitro-N-piperidin-4-ylbenzamide
CID 43602219
N-(azepan-4-yl)-2-chloro-N-methylbenzamide
CID 104974708
2,4-dichloro-N-cyclohexyl-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 2336712
2,4-dichloro-N-cycloheptyl-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 55468764
2-chloro-N-methyl-N-piperidin-4-ylfuran-3-carboxamide
CID 106688438
4-chloro-N-cyclopropyl-2-fluoro-N-methyl-5-sulfamoylbenzamide
CID 65373711
N,3,5-trimethyl-N-piperidin-4-ylbenzamide
CID 43602069
N,3,4-trimethyl-N-piperidin-4-yl-5-sulfamoylbenzamide
CID 119443970

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-methyl-5-methylsulfonyl-N-piperidin-4-ylbenzamide?
The IUPAC name of 2,4-dichloro-N-methyl-5-methylsulfonyl-N-piperidin-4-ylbenzamide (CID 154759790) is 2,4-dichloro-N-methyl-5-methylsulfonyl-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-methyl-5-methylsulfonyl-N-piperidin-4-ylbenzamide?
The canonical SMILES for 2,4-dichloro-N-methyl-5-methylsulfonyl-N-piperidin-4-ylbenzamide is CN(C(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl)C1CCNCC1.
What is the InChIKey of 2,4-dichloro-N-methyl-5-methylsulfonyl-N-piperidin-4-ylbenzamide?
The InChIKey is FVDGBQKGGOMPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O3S/c1-18(9-3-5-17-6-4-9)14(19)10-7-13(22(2,20)21)12(16)8-11(10)15/h7-9,17H,3-6H2,1-2H3.
What are the key properties of 2,4-dichloro-N-methyl-5-methylsulfonyl-N-piperidin-4-ylbenzamide?
2,4-dichloro-N-methyl-5-methylsulfonyl-N-piperidin-4-ylbenzamide has a molecular weight of 365.28 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-methyl-5-methylsulfonyl-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 154759790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).