1-(2,5-dichlorophenyl)sulfonyl-4-piperidin-1-ylpiperidine-4-carboxamide

C17H23Cl2N3O3S — CID 1261937

IUPAC1-(2,5-dichlorophenyl)sulfonyl-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESNC(=O)C1(N2CCCCC2)CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C17H23Cl2N3O3S/c18-13-4-5-14(19)15(12-13)26(24,25)22-10-6-17(7-11-22,16(20)23)21-8-2-1-3-9-21/h4-5,12H,1-3,6-11H2,(H2,20,23)
InChIKeySDZBEWQAIVVKOV-UHFFFAOYSA-N
MW420.36 g/mol
LogP2.49
Rot. Bonds4

About 1-(2,5-dichlorophenyl)sulfonyl-4-piperidin-1-ylpiperidine-4-carboxamide

1-(2,5-dichlorophenyl)sulfonyl-4-piperidin-1-ylpiperidine-4-carboxamide (PubChem CID 1261937) has the molecular formula C17H23Cl2N3O3S and a molecular weight of 420.36 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfonyl-4-piperidin-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfonyl-4-piperidin-1-ylpiperidine-4-carboxamide
PubChem CID1261937
Molecular FormulaC17H23Cl2N3O3S
Molecular Weight420.36 g/mol
Exact Mass419.08
IUPAC Name1-(2,5-dichlorophenyl)sulfonyl-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESNC(=O)C1(N2CCCCC2)CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C17H23Cl2N3O3S/c18-13-4-5-14(19)15(12-13)26(24,25)22-10-6-17(7-11-22,16(20)23)21-8-2-1-3-9-21/h4-5,12H,1-3,6-11H2,(H2,20,23)
InChIKeySDZBEWQAIVVKOV-UHFFFAOYSA-N
XLogP2.49
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.36
LogP ≤ 52.49
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-4-piperidin-1-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-4-piperidin-1-ylpiperidine-4-carboxamide (CID 1261937) is 1-(2,5-dichlorophenyl)sulfonyl-4-piperidin-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfonyl-4-piperidin-1-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfonyl-4-piperidin-1-ylpiperidine-4-carboxamide is NC(=O)C1(N2CCCCC2)CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfonyl-4-piperidin-1-ylpiperidine-4-carboxamide?
The InChIKey is SDZBEWQAIVVKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2N3O3S/c18-13-4-5-14(19)15(12-13)26(24,25)22-10-6-17(7-11-22,16(20)23)21-8-2-1-3-9-21/h4-5,12H,1-3,6-11H2,(H2,20,23).
What are the key properties of 1-(2,5-dichlorophenyl)sulfonyl-4-piperidin-1-ylpiperidine-4-carboxamide?
1-(2,5-dichlorophenyl)sulfonyl-4-piperidin-1-ylpiperidine-4-carboxamide has a molecular weight of 420.36 g/mol, XLogP of 2.49, 4 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-4-piperidin-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 1261937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).