N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-N-methylmethanesulfonamide

C14H18Cl2N2O3S — CID 48734210

IUPACN-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-N-methylmethanesulfonamide
SMILESCN(C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1)S(C)(=O)=O
InChIInChI=1S/C14H18Cl2N2O3S/c1-17(22(2,20)21)11-5-7-18(8-6-11)14(19)10-3-4-12(15)13(16)9-10/h3-4,9,11H,5-8H2,1-2H3
InChIKeyNVDZEPFEZDVQNR-UHFFFAOYSA-N
MW365.28 g/mol
LogP2.49
Rot. Bonds3

About N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-N-methylmethanesulfonamide

N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-N-methylmethanesulfonamide (PubChem CID 48734210) has the molecular formula C14H18Cl2N2O3S and a molecular weight of 365.28 g/mol. Its IUPAC name is N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-N-methylmethanesulfonamide
PubChem CID48734210
Molecular FormulaC14H18Cl2N2O3S
Molecular Weight365.28 g/mol
Exact Mass364.04
IUPAC NameN-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-N-methylmethanesulfonamide
SMILESCN(C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1)S(C)(=O)=O
InChIInChI=1S/C14H18Cl2N2O3S/c1-17(22(2,20)21)11-5-7-18(8-6-11)14(19)10-3-4-12(15)13(16)9-10/h3-4,9,11H,5-8H2,1-2H3
InChIKeyNVDZEPFEZDVQNR-UHFFFAOYSA-N
XLogP2.49
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.28
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 51094004
(3,4-dichlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559758
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]ethanesulfonamide
CID 108563505
(3,4-dichlorophenyl)-(4-methylpiperazin-4-ium-1-yl)methanone
CID 6939011
1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethanone
CID 78783392
(3,4-dichlorophenyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90590179
N-[1-(2-ethylsulfanylpyridine-4-carbonyl)piperidin-4-yl]-N-methylmethanesulfonamide
CID 51128893
(4-chloro-3-methylsulfonylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 26773669
(3,4-dichlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261191
[1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 60589629
(3-aminopyrrolidin-1-yl)-(3,4-dichlorophenyl)methanone
CID 59657843
(3,4-dichlorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413636

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-N-methylmethanesulfonamide (CID 48734210) is N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-N-methylmethanesulfonamide is CN(C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1)S(C)(=O)=O.
What is the InChIKey of N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-N-methylmethanesulfonamide?
The InChIKey is NVDZEPFEZDVQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O3S/c1-17(22(2,20)21)11-5-7-18(8-6-11)14(19)10-3-4-12(15)13(16)9-10/h3-4,9,11H,5-8H2,1-2H3.
What are the key properties of N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-N-methylmethanesulfonamide?
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-N-methylmethanesulfonamide has a molecular weight of 365.28 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 48734210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).