1-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)piperidine-3-carboxamide

C18H17Cl3N2O3S — CID 43042431

IUPAC1-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H17Cl3N2O3S/c19-13-3-6-15(7-4-13)27(25,26)23-9-1-2-12(11-23)18(24)22-17-8-5-14(20)10-16(17)21/h3-8,10,12H,1-2,9,11H2,(H,22,24)
InChIKeyJUTHQSMKTKMYRN-UHFFFAOYSA-N
MW447.77 g/mol
LogP4.69
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)piperidine-3-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)piperidine-3-carboxamide (PubChem CID 43042431) has the molecular formula C18H17Cl3N2O3S and a molecular weight of 447.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)piperidine-3-carboxamide
PubChem CID43042431
Molecular FormulaC18H17Cl3N2O3S
Molecular Weight447.77 g/mol
Exact Mass446.00
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H17Cl3N2O3S/c19-13-3-6-15(7-4-13)27(25,26)23-9-1-2-12(11-23)18(24)22-17-8-5-14(20)10-16(17)21/h3-8,10,12H,1-2,9,11H2,(H,22,24)
InChIKeyJUTHQSMKTKMYRN-UHFFFAOYSA-N
XLogP4.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.77
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(4-bromophenyl)sulfonyl-N-(2,4-dichlorophenyl)piperidine-3-carboxamide
CID 41302407
(3R)-1-(4-chlorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100673677
(3R)-1-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)piperidine-3-carboxamide
CID 1283960
N-(2,5-dichlorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 4018187
(3R)-1-(4-chlorophenyl)sulfonyl-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100673047
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 100673660
N-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 16862472
(3R)-N-(3-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 1081678
1-(4-bromophenyl)sulfonyl-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide
CID 5108975
N-(2-bromo-4-methylphenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 43042471
N-(2,4-dichlorophenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55412213
(3R)-1-(4-bromophenyl)sulfonyl-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
CID 126391105

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)piperidine-3-carboxamide (CID 43042431) is 1-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)piperidine-3-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)piperidine-3-carboxamide?
The InChIKey is JUTHQSMKTKMYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl3N2O3S/c19-13-3-6-15(7-4-13)27(25,26)23-9-1-2-12(11-23)18(24)22-17-8-5-14(20)10-16(17)21/h3-8,10,12H,1-2,9,11H2,(H,22,24).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)piperidine-3-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)piperidine-3-carboxamide has a molecular weight of 447.77 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43042431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).