3,4-dichloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide

C14H18Cl2N2O4S — CID 75400448

IUPAC3,4-dichloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
SMILESCN(CC(=O)N1CCC(O)CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2O4S/c1-17(9-14(20)18-6-4-10(19)5-7-18)23(21,22)11-2-3-12(15)13(16)8-11/h2-3,8,10,19H,4-7,9H2,1H3
InChIKeyGHCMACBNXBMHSJ-UHFFFAOYSA-N
MW381.28 g/mol
LogP1.60
Rot. Bonds4

About 3,4-dichloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide

3,4-dichloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide (PubChem CID 75400448) has the molecular formula C14H18Cl2N2O4S and a molecular weight of 381.28 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
PubChem CID75400448
Molecular FormulaC14H18Cl2N2O4S
Molecular Weight381.28 g/mol
Exact Mass380.04
IUPAC Name3,4-dichloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
SMILESCN(CC(=O)N1CCC(O)CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2O4S/c1-17(9-14(20)18-6-4-10(19)5-7-18)23(21,22)11-2-3-12(15)13(16)8-11/h2-3,8,10,19H,4-7,9H2,1H3
InChIKeyGHCMACBNXBMHSJ-UHFFFAOYSA-N
XLogP1.60
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
CID 71857995
3-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 61018552
4-chloro-N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
CID 119645347
3-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methoxy-N-methylbenzenesulfonamide
CID 2975952
3,5-dichloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 119967371
N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide;hydrochloride
CID 119372938
N-methyl-N-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]-3-nitrobenzenesulfonamide
CID 119561320
N-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide;hydrochloride
CID 119484347
N-methyl-N-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]-3-nitrobenzenesulfonamide;hydrochloride
CID 119561319
4-iodo-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 61018949
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-chloro-N-methylbenzenesulfonamide
CID 119378427
4-bromo-N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride
CID 119967420

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide (CID 75400448) is 3,4-dichloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide is CN(CC(=O)N1CCC(O)CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide?
The InChIKey is GHCMACBNXBMHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O4S/c1-17(9-14(20)18-6-4-10(19)5-7-18)23(21,22)11-2-3-12(15)13(16)8-11/h2-3,8,10,19H,4-7,9H2,1H3.
What are the key properties of 3,4-dichloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide?
3,4-dichloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide has a molecular weight of 381.28 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 75400448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).