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

C19H19Cl2FN2O3S — CID 46225085

IUPACN-[(2,4-dichlorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H19Cl2FN2O3S/c20-14-2-1-13(18(21)11-14)12-23-19(25)24-9-7-17(8-10-24)28(26,27)16-5-3-15(22)4-6-16/h1-6,11,17H,7-10,12H2,(H,23,25)
InChIKeyAYIKOADVZBGFIE-UHFFFAOYSA-N
MW445.34 g/mol
LogP4.28
Rot. Bonds4

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

N-[(2,4-dichlorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide (PubChem CID 46225085) has the molecular formula C19H19Cl2FN2O3S and a molecular weight of 445.34 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide
PubChem CID46225085
Molecular FormulaC19H19Cl2FN2O3S
Molecular Weight445.34 g/mol
Exact Mass444.05
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H19Cl2FN2O3S/c20-14-2-1-13(18(21)11-14)12-23-19(25)24-9-7-17(8-10-24)28(26,27)16-5-3-15(22)4-6-16/h1-6,11,17H,7-10,12H2,(H,23,25)
InChIKeyAYIKOADVZBGFIE-UHFFFAOYSA-N
XLogP4.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.34
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dichlorobenzyl)-4-(4-fluorophenylsulfonamido)piperidine-1-carboxamide
CID 46225086
N-[(3-chlorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 9204198
4-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
CID 9207918
1-[(2,4-Dichlorophenyl)methyl]-1-methyl-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 17537968
N-[(2-chloro-4-fluorophenyl)methyl]-3-[(4-chlorophenyl)methylsulfonyl]propanamide
CID 5122134
N-[1-(2-chloro-6-fluorophenyl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 71978582
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 72130794
N-(4-chlorobenzyl)-4-(methylsulfonyl)piperidine-1-carboxamide
CID 71805739
N-(4-chlorobenzyl)-2-((phenylsulfonyl)methyl)pyrrolidine-1-carboxamide
CID 71805910
N-(4-chlorobenzyl)-4-(phenylsulfonyl)piperidine-1-carboxamide
CID 71808770
N-[[1-[(4-chlorophenyl)methyl]-4-piperidyl]methyl]-2-(p-tolylsulfonyl)acetamide
CID 508799
N-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)sulfonylpyrrolidine-1-carboxamide
CID 24748122

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide (CID 46225085) is N-[(2,4-dichlorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide?
The InChIKey is AYIKOADVZBGFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2FN2O3S/c20-14-2-1-13(18(21)11-14)12-23-19(25)24-9-7-17(8-10-24)28(26,27)16-5-3-15(22)4-6-16/h1-6,11,17H,7-10,12H2,(H,23,25).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide has a molecular weight of 445.34 g/mol, XLogP of 4.28, 4 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]-4-(4-fluorophenyl)sulfonylpiperidine-1-carboxamide is sourced from PubChem (CID 46225085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).