N-[(2,4-dichlorophenyl)methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide

C19H19Cl2FN2O3S — CID 27646915

IUPACN-[(2,4-dichlorophenyl)methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C19H19Cl2FN2O3S/c20-15-6-5-14(16(21)11-15)12-23-19(25)13-7-9-24(10-8-13)28(26,27)18-4-2-1-3-17(18)22/h1-6,11,13H,7-10,12H2,(H,23,25)
InChIKeyXXDMCRHQQXNERV-UHFFFAOYSA-N
MW445.34 g/mol
LogP3.85
Rot. Bonds5

About N-[(2,4-dichlorophenyl)methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide

N-[(2,4-dichlorophenyl)methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 27646915) has the molecular formula C19H19Cl2FN2O3S and a molecular weight of 445.34 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID27646915
Molecular FormulaC19H19Cl2FN2O3S
Molecular Weight445.34 g/mol
Exact Mass444.05
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C19H19Cl2FN2O3S/c20-15-6-5-14(16(21)11-15)12-23-19(25)13-7-9-24(10-8-13)28(26,27)18-4-2-1-3-17(18)22/h1-6,11,13H,7-10,12H2,(H,23,25)
InChIKeyXXDMCRHQQXNERV-UHFFFAOYSA-N
XLogP3.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-((3,5-Dichlorophenyl)sulfonyl)-N-(4-fluorobenzyl)piperidine-4-carboxamide
CID 134604213
3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 4791283
N-(2,4-dichlorobenzyl)-1-(mesitylsulfonyl)-4-piperidinecarboxamide
CID 1306384
1-Benzenesulfonyl-piperidine-4-carboxylic acid 2-fluoro-benzylamide
CID 2444257
1-(2-bromophenylsulfonyl)-N-(2,4-dichlorobenzyl)piperidine-4-carboxamide
CID 44591943
N-(2-chloro-6-fluorobenzyl)-1-(mesitylsulfonyl)piperidine-4-carboxamide
CID 44591963
N-(2,4-dichlorobenzyl)-4-(4-fluorophenylsulfonamido)piperidine-1-carboxamide
CID 46225086
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2,4,6-trichloro-benzamide
CID 130431448
N-[(2-chlorophenyl)methyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide
CID 1077699
N-(2-chlorobenzyl)-1-((4-fluorophenyl)sulfonyl)piperidine-4-carboxamide
CID 1209529
N-(4-chlorobenzyl)-1-[(4-fluorophenyl)sulfonyl]-4-piperidinecarboxamide
CID 1327917
N~2~-[(4-chlorophenyl)sulfonyl]-N-[2-(cyclohex-1-en-1-yl)ethyl]-N~2~-(2-fluorobenzyl)glycinamide
CID 2300422

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide (CID 27646915) is N-[(2,4-dichlorophenyl)methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)C1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is XXDMCRHQQXNERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2FN2O3S/c20-15-6-5-14(16(21)11-15)12-23-19(25)13-7-9-24(10-8-13)28(26,27)18-4-2-1-3-17(18)22/h1-6,11,13H,7-10,12H2,(H,23,25).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 445.34 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 27646915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).