1-(4-chlorophenyl)sulfonyl-3-ethoxypiperidine

C13H18ClNO3S — CID 42656423

IUPAC1-(4-chlorophenyl)sulfonyl-3-ethoxypiperidine
SMILESCCOC1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C13H18ClNO3S/c1-2-18-12-4-3-9-15(10-12)19(16,17)13-7-5-11(14)6-8-13/h5-8,12H,2-4,9-10H2,1H3
InChIKeyRSNFZYWTHZBHFR-UHFFFAOYSA-N
MW303.81 g/mol
LogP2.53
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-3-ethoxypiperidine

1-(4-chlorophenyl)sulfonyl-3-ethoxypiperidine (PubChem CID 42656423) has the molecular formula C13H18ClNO3S and a molecular weight of 303.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-3-ethoxypiperidine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-3-ethoxypiperidine
PubChem CID42656423
Molecular FormulaC13H18ClNO3S
Molecular Weight303.81 g/mol
Exact Mass303.07
IUPAC Name1-(4-chlorophenyl)sulfonyl-3-ethoxypiperidine
SMILESCCOC1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C13H18ClNO3S/c1-2-18-12-4-3-9-15(10-12)19(16,17)13-7-5-11(14)6-8-13/h5-8,12H,2-4,9-10H2,1H3
InChIKeyRSNFZYWTHZBHFR-UHFFFAOYSA-N
XLogP2.53
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-ethoxypiperidine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-ethoxypiperidine (CID 42656423) is 1-(4-chlorophenyl)sulfonyl-3-ethoxypiperidine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-3-ethoxypiperidine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-3-ethoxypiperidine is CCOC1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-3-ethoxypiperidine?
The InChIKey is RSNFZYWTHZBHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S/c1-2-18-12-4-3-9-15(10-12)19(16,17)13-7-5-11(14)6-8-13/h5-8,12H,2-4,9-10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-3-ethoxypiperidine?
1-(4-chlorophenyl)sulfonyl-3-ethoxypiperidine has a molecular weight of 303.81 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-3-ethoxypiperidine is sourced from PubChem (CID 42656423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).