4-chloro-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide

C17H26ClN3O3S — CID 119645347

IUPAC4-chloro-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
SMILESCCNCC1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H26ClN3O3S/c1-3-19-12-14-8-10-21(11-9-14)17(22)13-20(2)25(23,24)16-6-4-15(18)5-7-16/h4-7,14,19H,3,8-13H2,1-2H3
InChIKeyJXWYZDIWBXYVON-UHFFFAOYSA-N
MW387.93 g/mol
LogP1.81
Rot. Bonds7

About 4-chloro-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide

4-chloro-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide (PubChem CID 119645347) has the molecular formula C17H26ClN3O3S and a molecular weight of 387.93 g/mol. Its IUPAC name is 4-chloro-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
PubChem CID119645347
Molecular FormulaC17H26ClN3O3S
Molecular Weight387.93 g/mol
Exact Mass387.14
IUPAC Name4-chloro-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
SMILESCCNCC1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H26ClN3O3S/c1-3-19-12-14-8-10-21(11-9-14)17(22)13-20(2)25(23,24)16-6-4-15(18)5-7-16/h4-7,14,19H,3,8-13H2,1-2H3
InChIKeyJXWYZDIWBXYVON-UHFFFAOYSA-N
XLogP1.81
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.93
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)sulfonyl-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119648007
N-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide;hydrochloride
CID 119484347
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide
CID 119378427
3-(4-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 119644784
ethyl (3S)-1-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]piperidine-3-carboxylate
CID 2485823
N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide;hydrochloride
CID 119372938
3,4-dichloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
CID 75400448
(3S,4S)-1-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120952806
2-[(4-chlorophenyl)methylsulfanyl]-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119646487
N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide
CID 6963153
4-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]morpholine-2-carboxylic acid
CID 119238890
2-(3-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
CID 80552385

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide (CID 119645347) is 4-chloro-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide is CCNCC1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-chloro-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide?
The InChIKey is JXWYZDIWBXYVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O3S/c1-3-19-12-14-8-10-21(11-9-14)17(22)13-20(2)25(23,24)16-6-4-15(18)5-7-16/h4-7,14,19H,3,8-13H2,1-2H3.
What are the key properties of 4-chloro-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide?
4-chloro-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide has a molecular weight of 387.93 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 119645347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).