N-[(2-chloro-6-fluorophenyl)methyl]-1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide

C20H20Cl3FN2O3S — CID 31287206

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C20H20Cl3FN2O3S/c1-25(12-15-16(22)3-2-4-18(15)24)20(27)13-7-9-26(10-8-13)30(28,29)19-11-14(21)5-6-17(19)23/h2-6,11,13H,7-10,12H2,1H3
InChIKeyNOFDNMGIJGUCPL-UHFFFAOYSA-N
MW493.82 g/mol
LogP4.85
Rot. Bonds5

About N-[(2-chloro-6-fluorophenyl)methyl]-1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide

N-[(2-chloro-6-fluorophenyl)methyl]-1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide (PubChem CID 31287206) has the molecular formula C20H20Cl3FN2O3S and a molecular weight of 493.82 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
PubChem CID31287206
Molecular FormulaC20H20Cl3FN2O3S
Molecular Weight493.82 g/mol
Exact Mass492.02
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C20H20Cl3FN2O3S/c1-25(12-15-16(22)3-2-4-18(15)24)20(27)13-7-9-26(10-8-13)30(28,29)19-11-14(21)5-6-17(19)23/h2-6,11,13H,7-10,12H2,1H3
InChIKeyNOFDNMGIJGUCPL-UHFFFAOYSA-N
XLogP4.85
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.82
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 30278857
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 31181703
1-(2,5-dichlorophenyl)sulfonyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 56510132
1-(2,5-dichlorophenyl)sulfonyl-N-methoxy-N-methylpiperidine-4-carboxamide
CID 24542610
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119267724
N-benzyl-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 27665709
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 55580678
(3S)-N-benzyl-1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 126397995
1-(2,5-dichlorophenyl)sulfonyl-N-methyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 43022044
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55630456
N-[(4-chlorophenyl)methyl]-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-methylpiperidine-4-carboxamide
CID 92679094
1-(2-fluorophenyl)sulfonyl-N-methyl-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide
CID 17493112

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide (CID 31287206) is N-[(2-chloro-6-fluorophenyl)methyl]-1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide is CN(Cc1c(F)cccc1Cl)C(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
The InChIKey is NOFDNMGIJGUCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl3FN2O3S/c1-25(12-15-16(22)3-2-4-18(15)24)20(27)13-7-9-26(10-8-13)30(28,29)19-11-14(21)5-6-17(19)23/h2-6,11,13H,7-10,12H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide?
N-[(2-chloro-6-fluorophenyl)methyl]-1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide has a molecular weight of 493.82 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 31287206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).