1-(2,5-dichlorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

C17H22Cl2N2O4S — CID 2939698

IUPAC1-(2,5-dichlorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCC1CCCO1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C17H22Cl2N2O4S/c18-13-3-4-15(19)16(10-13)26(23,24)21-7-5-12(6-8-21)17(22)20-11-14-2-1-9-25-14/h3-4,10,12,14H,1-2,5-9,11H2,(H,20,22)
InChIKeyNIZSAJYORFTASC-UHFFFAOYSA-N
MW421.35 g/mol
LogP2.69
Rot. Bonds5

About 1-(2,5-dichlorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

1-(2,5-dichlorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 2939698) has the molecular formula C17H22Cl2N2O4S and a molecular weight of 421.35 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID2939698
Molecular FormulaC17H22Cl2N2O4S
Molecular Weight421.35 g/mol
Exact Mass420.07
IUPAC Name1-(2,5-dichlorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCC1CCCO1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C17H22Cl2N2O4S/c18-13-3-4-15(19)16(10-13)26(23,24)21-7-5-12(6-8-21)17(22)20-11-14-2-1-9-25-14/h3-4,10,12,14H,1-2,5-9,11H2,(H,20,22)
InChIKeyNIZSAJYORFTASC-UHFFFAOYSA-N
XLogP2.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (CID 2939698) is 1-(2,5-dichlorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is O=C(NCC1CCCO1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is NIZSAJYORFTASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O4S/c18-13-3-4-15(19)16(10-13)26(23,24)21-7-5-12(6-8-21)17(22)20-11-14-2-1-9-25-14/h3-4,10,12,14H,1-2,5-9,11H2,(H,20,22).
What are the key properties of 1-(2,5-dichlorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
1-(2,5-dichlorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 421.35 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 2939698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).