1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide

C24H29ClFN3O7S2 — CID 99940211

IUPAC1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H29ClFN3O7S2/c1-35-22-6-5-18(15-23(22)38(33,34)29-11-13-36-14-12-29)27-24(30)17-7-9-28(10-8-17)37(31,32)16-19-20(25)3-2-4-21(19)26/h2-6,15,17H,7-14,16H2,1H3,(H,27,30)
InChIKeyIGPVSZZZTOTOOH-UHFFFAOYSA-N
MW590.10 g/mol
LogP2.69
Rot. Bonds8

About 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide

1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide (PubChem CID 99940211) has the molecular formula C24H29ClFN3O7S2 and a molecular weight of 590.10 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
PubChem CID99940211
Molecular FormulaC24H29ClFN3O7S2
Molecular Weight590.10 g/mol
Exact Mass589.11
IUPAC Name1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H29ClFN3O7S2/c1-35-22-6-5-18(15-23(22)38(33,34)29-11-13-36-14-12-29)27-24(30)17-7-9-28(10-8-17)37(31,32)16-19-20(25)3-2-4-21(19)26/h2-6,15,17H,7-14,16H2,1H3,(H,27,30)
InChIKeyIGPVSZZZTOTOOH-UHFFFAOYSA-N
XLogP2.69
TPSA122.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500590.10
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 43908095
1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
CID 43910041
1-[(3,4-dichlorophenyl)methylsulfonyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
CID 43909270
1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 92642670
1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(3-chlorophenyl)piperidine-4-carboxamide
CID 92642656
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119264823
1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 99959178
1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 46778266
1-(5-chloro-2-methoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 2990214
1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(2-chlorophenyl)piperidine-4-carboxamide
CID 92642655
1-[(2-chloro-6-fluorophenyl)methyl]-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 45013321
(3S)-1-(benzenesulfonyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100660568

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide (CID 99940211) is 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(S(=O)(=O)Cc3c(F)cccc3Cl)CC2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide?
The InChIKey is IGPVSZZZTOTOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClFN3O7S2/c1-35-22-6-5-18(15-23(22)38(33,34)29-11-13-36-14-12-29)27-24(30)17-7-9-28(10-8-17)37(31,32)16-19-20(25)3-2-4-21(19)26/h2-6,15,17H,7-14,16H2,1H3,(H,27,30).
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide?
1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide has a molecular weight of 590.10 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 99940211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).