1-(2,6-dichlorophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide

C20H23Cl2N3O5S2 — CID 2480993

IUPAC1-(2,6-dichlorophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cc1
InChIInChI=1S/C20H23Cl2N3O5S2/c21-17-2-1-3-18(22)19(17)32(29,30)25-12-9-15(10-13-25)20(26)24-11-8-14-4-6-16(7-5-14)31(23,27)28/h1-7,15H,8-13H2,(H,24,26)(H2,23,27,28)
InChIKeyLSZAHCLYEVZUAH-UHFFFAOYSA-N
MW520.46 g/mol
LogP2.40
Rot. Bonds7

About 1-(2,6-dichlorophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide

1-(2,6-dichlorophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 2480993) has the molecular formula C20H23Cl2N3O5S2 and a molecular weight of 520.46 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide
PubChem CID2480993
Molecular FormulaC20H23Cl2N3O5S2
Molecular Weight520.46 g/mol
Exact Mass519.05
IUPAC Name1-(2,6-dichlorophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cc1
InChIInChI=1S/C20H23Cl2N3O5S2/c21-17-2-1-3-18(22)19(17)32(29,30)25-12-9-15(10-13-25)20(26)24-11-8-14-4-6-16(7-5-14)31(23,27)28/h1-7,15H,8-13H2,(H,24,26)(H2,23,27,28)
InChIKeyLSZAHCLYEVZUAH-UHFFFAOYSA-N
XLogP2.40
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.46
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,6-dichlorophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide (CID 2480993) is 1-(2,6-dichlorophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,6-dichlorophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,6-dichlorophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)cc1.
What is the InChIKey of 1-(2,6-dichlorophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is LSZAHCLYEVZUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O5S2/c21-17-2-1-3-18(22)19(17)32(29,30)25-12-9-15(10-13-25)20(26)24-11-8-14-4-6-16(7-5-14)31(23,27)28/h1-7,15H,8-13H2,(H,24,26)(H2,23,27,28).
What are the key properties of 1-(2,6-dichlorophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide?
1-(2,6-dichlorophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 520.46 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 2480993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).