1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2-ethylpiperidine

C14H19Cl2NO3S — CID 47071466

IUPAC1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2-ethylpiperidine
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1OC
InChIInChI=1S/C14H19Cl2NO3S/c1-3-10-6-4-5-9-17(10)21(18,19)12-8-7-11(15)13(16)14(12)20-2/h7-8,10H,3-6,9H2,1-2H3
InChIKeyLNPCDQJBIDZBGV-UHFFFAOYSA-N
MW352.28 g/mol
LogP3.96
Rot. Bonds4

About 1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2-ethylpiperidine

1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2-ethylpiperidine (PubChem CID 47071466) has the molecular formula C14H19Cl2NO3S and a molecular weight of 352.28 g/mol. Its IUPAC name is 1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2-ethylpiperidine.

Molecular Properties

Compound Name1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2-ethylpiperidine
PubChem CID47071466
Molecular FormulaC14H19Cl2NO3S
Molecular Weight352.28 g/mol
Exact Mass351.05
IUPAC Name1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2-ethylpiperidine
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1OC
InChIInChI=1S/C14H19Cl2NO3S/c1-3-10-6-4-5-9-17(10)21(18,19)12-8-7-11(15)13(16)14(12)20-2/h7-8,10H,3-6,9H2,1-2H3
InChIKeyLNPCDQJBIDZBGV-UHFFFAOYSA-N
XLogP3.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2-methylpiperidine
CID 802910
1-(4-bromo-2-chlorophenyl)sulfonyl-2-ethylpiperidine
CID 42999354
(2S)-1-(4-chloro-3-methoxyphenyl)sulfonyl-2-ethylpiperidine
CID 7177581
methyl 4-chloro-3-(2-ethylpiperidin-1-yl)sulfonylbenzoate
CID 85496512
4-chloro-3-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzoic acid
CID 93267676
4-chloro-3-(2-ethylazepan-1-yl)sulfonylbenzonitrile
CID 104689863
3-chloro-4-(2-ethylpyrrolidin-1-yl)sulfonylaniline
CID 54882929
4-chloro-3-(2-ethylpiperidin-1-yl)sulfonylbenzenecarbothioamide
CID 80695012
(2R)-1,4-bis[(3,4-dichloro-2-methoxyphenyl)sulfonyl]-2-methylpiperazine
CID 98212078
3-(2-ethylazepan-1-yl)sulfonyl-4-methoxyaniline
CID 104688731
1-(5-chlorothiophen-2-yl)sulfonyl-2-ethylpiperidine
CID 19682804
4-(2-ethylpyrrolidin-1-yl)sulfonyl-3-methoxybenzoic acid
CID 102694755

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2-ethylpiperidine?
The IUPAC name of 1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2-ethylpiperidine (CID 47071466) is 1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2-ethylpiperidine.
What is the SMILES notation for 1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2-ethylpiperidine?
The canonical SMILES for 1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2-ethylpiperidine is CCC1CCCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1OC.
What is the InChIKey of 1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2-ethylpiperidine?
The InChIKey is LNPCDQJBIDZBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO3S/c1-3-10-6-4-5-9-17(10)21(18,19)12-8-7-11(15)13(16)14(12)20-2/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of 1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2-ethylpiperidine?
1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2-ethylpiperidine has a molecular weight of 352.28 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2-ethylpiperidine is sourced from PubChem (CID 47071466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).