1-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide

C22H26ClN3O4S — CID 2677675

IUPAC1-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H26ClN3O4S/c23-18-5-7-19(8-6-18)31(28,29)26-11-9-17(10-12-26)22(27)24-20-3-1-2-4-21(20)25-13-15-30-16-14-25/h1-8,17H,9-16H2,(H,24,27)
InChIKeyKSUXKDNBHVXBID-UHFFFAOYSA-N
MW463.99 g/mol
LogP3.22
Rot. Bonds5

About 1-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide (PubChem CID 2677675) has the molecular formula C22H26ClN3O4S and a molecular weight of 463.99 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide
PubChem CID2677675
Molecular FormulaC22H26ClN3O4S
Molecular Weight463.99 g/mol
Exact Mass463.13
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H26ClN3O4S/c23-18-5-7-19(8-6-18)31(28,29)26-11-9-17(10-12-26)22(27)24-20-3-1-2-4-21(20)25-13-15-30-16-14-25/h1-8,17H,9-16H2,(H,24,27)
InChIKeyKSUXKDNBHVXBID-UHFFFAOYSA-N
XLogP3.22
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.99
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide (CID 2677675) is 1-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide is O=C(Nc1ccccc1N1CCOCC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide?
The InChIKey is KSUXKDNBHVXBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O4S/c23-18-5-7-19(8-6-18)31(28,29)26-11-9-17(10-12-26)22(27)24-20-3-1-2-4-21(20)25-13-15-30-16-14-25/h1-8,17H,9-16H2,(H,24,27).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide has a molecular weight of 463.99 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 2677675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).