1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine-4-carboxamide

C22H26ClN3O4S — CID 55903667

IUPAC1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCOc1ccc2c(c1)CCC2)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1
InChIInChI=1S/C22H26ClN3O4S/c23-21-20(5-2-10-24-21)31(28,29)26-12-8-17(9-13-26)22(27)25-11-14-30-19-7-6-16-3-1-4-18(16)15-19/h2,5-7,10,15,17H,1,3-4,8-9,11-14H2,(H,25,27)
InChIKeyBBNTUUOTNBVBRS-UHFFFAOYSA-N
MW463.99 g/mol
LogP2.82
Rot. Bonds7

About 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine-4-carboxamide

1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine-4-carboxamide (PubChem CID 55903667) has the molecular formula C22H26ClN3O4S and a molecular weight of 463.99 g/mol. Its IUPAC name is 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine-4-carboxamide
PubChem CID55903667
Molecular FormulaC22H26ClN3O4S
Molecular Weight463.99 g/mol
Exact Mass463.13
IUPAC Name1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCOc1ccc2c(c1)CCC2)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1
InChIInChI=1S/C22H26ClN3O4S/c23-21-20(5-2-10-24-21)31(28,29)26-12-8-17(9-13-26)22(27)25-11-14-30-19-7-6-16-3-1-4-18(16)15-19/h2,5-7,10,15,17H,1,3-4,8-9,11-14H2,(H,25,27)
InChIKeyBBNTUUOTNBVBRS-UHFFFAOYSA-N
XLogP2.82
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.99
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 34974210
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55903028
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 55511990
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine-4-carboxamide
CID 55903275
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 31304480
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-4-carboxamide
CID 55724375
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[(1-phenylcyclopentyl)methyl]piperidine-4-carboxamide
CID 31344367
1-(2,5-dichlorophenyl)sulfonyl-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 26903277
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 55512060
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-pentan-2-ylpiperidine-4-carboxamide
CID 46512813
N-(5-chloro-2-methylphenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide
CID 31079598
1-(2-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenoxy)ethyl]piperidine-4-carboxamide
CID 24504256

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine-4-carboxamide (CID 55903667) is 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine-4-carboxamide is O=C(NCCOc1ccc2c(c1)CCC2)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1.
What is the InChIKey of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine-4-carboxamide?
The InChIKey is BBNTUUOTNBVBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O4S/c23-21-20(5-2-10-24-21)31(28,29)26-12-8-17(9-13-26)22(27)25-11-14-30-19-7-6-16-3-1-4-18(16)15-19/h2,5-7,10,15,17H,1,3-4,8-9,11-14H2,(H,25,27).
What are the key properties of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine-4-carboxamide?
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine-4-carboxamide has a molecular weight of 463.99 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 55903667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).