1-(5-chloro-2-methoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

C18H25ClN2O5S — CID 6459989

IUPAC1-(5-chloro-2-methoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCC2CCCO2)CC1
InChIInChI=1S/C18H25ClN2O5S/c1-25-16-5-4-14(19)11-17(16)27(23,24)21-8-6-13(7-9-21)18(22)20-12-15-3-2-10-26-15/h4-5,11,13,15H,2-3,6-10,12H2,1H3,(H,20,22)
InChIKeyHKPQBUMOGNEKDI-UHFFFAOYSA-N
MW416.93 g/mol
LogP2.04
Rot. Bonds6

About 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

1-(5-chloro-2-methoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 6459989) has the molecular formula C18H25ClN2O5S and a molecular weight of 416.93 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID6459989
Molecular FormulaC18H25ClN2O5S
Molecular Weight416.93 g/mol
Exact Mass416.12
IUPAC Name1-(5-chloro-2-methoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCC2CCCO2)CC1
InChIInChI=1S/C18H25ClN2O5S/c1-25-16-5-4-14(19)11-17(16)27(23,24)21-8-6-13(7-9-21)18(22)20-12-15-3-2-10-26-15/h4-5,11,13,15H,2-3,6-10,12H2,1H3,(H,20,22)
InChIKeyHKPQBUMOGNEKDI-UHFFFAOYSA-N
XLogP2.04
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (CID 6459989) is 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)NCC2CCCO2)CC1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is HKPQBUMOGNEKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O5S/c1-25-16-5-4-14(19)11-17(16)27(23,24)21-8-6-13(7-9-21)18(22)20-12-15-3-2-10-26-15/h4-5,11,13,15H,2-3,6-10,12H2,1H3,(H,20,22).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
1-(5-chloro-2-methoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 416.93 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 6459989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).