2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethanesulfonyl chloride

C13H16Cl3NO3S — CID 87826645

IUPAC2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C13H16Cl3NO3S/c14-12-2-1-11(9-13(12)15)20-10-3-5-17(6-4-10)7-8-21(16,18)19/h1-2,9-10H,3-8H2
InChIKeyZWALUADROAGDPB-UHFFFAOYSA-N
MW372.70 g/mol
LogP3.41
Rot. Bonds5

About 2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethanesulfonyl chloride

2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethanesulfonyl chloride (PubChem CID 87826645) has the molecular formula C13H16Cl3NO3S and a molecular weight of 372.70 g/mol. Its IUPAC name is 2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethanesulfonyl chloride.

Molecular Properties

Compound Name2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethanesulfonyl chloride
PubChem CID87826645
Molecular FormulaC13H16Cl3NO3S
Molecular Weight372.70 g/mol
Exact Mass370.99
IUPAC Name2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C13H16Cl3NO3S/c14-12-2-1-11(9-13(12)15)20-10-3-5-17(6-4-10)7-8-21(16,18)19/h1-2,9-10H,3-8H2
InChIKeyZWALUADROAGDPB-UHFFFAOYSA-N
XLogP3.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.70
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]acetic acid
CID 69347571
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]naphthalene-2-carboxamide
CID 22322216
N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propyl]-3-methylbenzamide
CID 153458835
4-(aminomethyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide
CID 10112968
2-(3-chlorophenyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide
CID 22322419
4-(3,4-dichlorophenoxy)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
CID 72548614
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-hydroxybenzamide;hydrochloride
CID 22322198
(E)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-phenylprop-2-en-1-amine
CID 141026984
N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propyl]-2,6-dimethoxypyrimidin-4-amine
CID 22322257
(E)-3-amino-N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propyl]-2-(methyliminomethyl)prop-2-enamide
CID 70849235
N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propyl]-6-methyl-2-methylsulfanylpyrimidin-4-amine
CID 22322275
N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 22322322

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethanesulfonyl chloride?
The IUPAC name of 2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethanesulfonyl chloride (CID 87826645) is 2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethanesulfonyl chloride.
What is the SMILES notation for 2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethanesulfonyl chloride?
The canonical SMILES for 2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethanesulfonyl chloride is O=S(=O)(Cl)CCN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethanesulfonyl chloride?
The InChIKey is ZWALUADROAGDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl3NO3S/c14-12-2-1-11(9-13(12)15)20-10-3-5-17(6-4-10)7-8-21(16,18)19/h1-2,9-10H,3-8H2.
What are the key properties of 2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethanesulfonyl chloride?
2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethanesulfonyl chloride has a molecular weight of 372.70 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethanesulfonyl chloride is sourced from PubChem (CID 87826645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).