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

C14H18Cl2N2O3S — CID 108563505

IUPACN-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C14H18Cl2N2O3S/c1-2-22(20,21)17-11-5-7-18(8-6-11)14(19)10-3-4-12(15)13(16)9-10/h3-4,9,11,17H,2,5-8H2,1H3
InChIKeyCOQVHMUFCQLCJJ-UHFFFAOYSA-N
MW365.28 g/mol
LogP2.54
Rot. Bonds4

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

N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]ethanesulfonamide (PubChem CID 108563505) 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]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]ethanesulfonamide
PubChem CID108563505
Molecular FormulaC14H18Cl2N2O3S
Molecular Weight365.28 g/mol
Exact Mass364.04
IUPAC NameN-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C14H18Cl2N2O3S/c1-2-22(20,21)17-11-5-7-18(8-6-11)14(19)10-3-4-12(15)13(16)9-10/h3-4,9,11,17H,2,5-8H2,1H3
InChIKeyCOQVHMUFCQLCJJ-UHFFFAOYSA-N
XLogP2.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.28
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-aminobenzoyl)piperidin-4-yl]ethanesulfonamide
CID 60962899
(3,4-dichlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559758
N-[1-(4-chloro-3-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 55674304
(3,4-dichlorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413636
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3,4-dichlorophenyl)methanone;hydrochloride
CID 119621638
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-N-methylmethanesulfonamide
CID 48734210
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551233
(3,4-dichlorophenyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90590179
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558128
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108549642
1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethanone
CID 78783392
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butane-1-sulfonamide
CID 110821222

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]ethanesulfonamide?
The IUPAC name of N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]ethanesulfonamide (CID 108563505) is N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]ethanesulfonamide?
The canonical SMILES for N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]ethanesulfonamide is CCS(=O)(=O)NC1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]ethanesulfonamide?
The InChIKey is COQVHMUFCQLCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O3S/c1-2-22(20,21)17-11-5-7-18(8-6-11)14(19)10-3-4-12(15)13(16)9-10/h3-4,9,11,17H,2,5-8H2,1H3.
What are the key properties of N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]ethanesulfonamide?
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]ethanesulfonamide has a molecular weight of 365.28 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 N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]ethanesulfonamide is sourced from PubChem (CID 108563505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).