(2S)-1-(4-chloro-3-methoxyphenyl)sulfonyl-2-ethylpiperidine

C14H20ClNO3S — CID 7177581

IUPAC(2S)-1-(4-chloro-3-methoxyphenyl)sulfonyl-2-ethylpiperidine
SMILESCC[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C14H20ClNO3S/c1-3-11-6-4-5-9-16(11)20(17,18)12-7-8-13(15)14(10-12)19-2/h7-8,10-11H,3-6,9H2,1-2H3/t11-/m0/s1
InChIKeySHXFWTOVMBKNEM-NSHDSACASA-N
MW317.84 g/mol
LogP3.30
Rot. Bonds4

About (2S)-1-(4-chloro-3-methoxyphenyl)sulfonyl-2-ethylpiperidine

(2S)-1-(4-chloro-3-methoxyphenyl)sulfonyl-2-ethylpiperidine (PubChem CID 7177581) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is (2S)-1-(4-chloro-3-methoxyphenyl)sulfonyl-2-ethylpiperidine.

Molecular Properties

Compound Name(2S)-1-(4-chloro-3-methoxyphenyl)sulfonyl-2-ethylpiperidine
PubChem CID7177581
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name(2S)-1-(4-chloro-3-methoxyphenyl)sulfonyl-2-ethylpiperidine
SMILESCC[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C14H20ClNO3S/c1-3-11-6-4-5-9-16(11)20(17,18)12-7-8-13(15)14(10-12)19-2/h7-8,10-11H,3-6,9H2,1-2H3/t11-/m0/s1
InChIKeySHXFWTOVMBKNEM-NSHDSACASA-N
XLogP3.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(2-ethylazepan-1-yl)sulfonylaniline
CID 104690556
1-(3-bromo-4-chlorophenyl)sulfonyl-2-(2-bromoethyl)piperidine
CID 106613057
2-chloro-4-(2-ethylazepan-1-yl)sulfonylbenzonitrile
CID 115642626
2-chloro-4-(2-ethylpyrrolidin-1-yl)sulfonylaniline
CID 113288410
1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-2-ethylpiperidine
CID 47071466
1-(3,4-dimethylphenyl)sulfonyl-2-ethylpyrrolidine
CID 110429015
2-ethyl-1-(4-methoxyphenyl)sulfonylpyrrolidine
CID 110429014
3-(2-ethylpiperidin-1-yl)sulfonylbenzenesulfonyl chloride
CID 43266562
1-(3,4-dichlorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidine
CID 3718020
[1-(4-methoxy-3-methylphenyl)sulfonylazepan-2-yl]methanol
CID 116636629
(2R)-2-ethyl-1-(3-nitrophenyl)sulfonylpiperidine
CID 7324167
1-(3-chlorophenyl)sulfonyl-2-ethylpyrrolidine
CID 110604704

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chloro-3-methoxyphenyl)sulfonyl-2-ethylpiperidine?
The IUPAC name of (2S)-1-(4-chloro-3-methoxyphenyl)sulfonyl-2-ethylpiperidine (CID 7177581) is (2S)-1-(4-chloro-3-methoxyphenyl)sulfonyl-2-ethylpiperidine.
What is the SMILES notation for (2S)-1-(4-chloro-3-methoxyphenyl)sulfonyl-2-ethylpiperidine?
The canonical SMILES for (2S)-1-(4-chloro-3-methoxyphenyl)sulfonyl-2-ethylpiperidine is CC[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c(OC)c1.
What is the InChIKey of (2S)-1-(4-chloro-3-methoxyphenyl)sulfonyl-2-ethylpiperidine?
The InChIKey is SHXFWTOVMBKNEM-NSHDSACASA-N. The full InChI is InChI=1S/C14H20ClNO3S/c1-3-11-6-4-5-9-16(11)20(17,18)12-7-8-13(15)14(10-12)19-2/h7-8,10-11H,3-6,9H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-1-(4-chloro-3-methoxyphenyl)sulfonyl-2-ethylpiperidine?
(2S)-1-(4-chloro-3-methoxyphenyl)sulfonyl-2-ethylpiperidine has a molecular weight of 317.84 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-chloro-3-methoxyphenyl)sulfonyl-2-ethylpiperidine is sourced from PubChem (CID 7177581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).