N-(2,4-dichlorophenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C16H16Cl2N2O3S2 — CID 55412213

IUPACN-(2,4-dichlorophenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)C1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C16H16Cl2N2O3S2/c17-12-5-6-14(13(18)9-12)19-16(21)11-3-1-7-20(10-11)25(22,23)15-4-2-8-24-15/h2,4-6,8-9,11H,1,3,7,10H2,(H,19,21)
InChIKeyMWFXHQKQYMXDHL-UHFFFAOYSA-N
MW419.36 g/mol
LogP4.09
Rot. Bonds4

About N-(2,4-dichlorophenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

N-(2,4-dichlorophenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 55412213) has the molecular formula C16H16Cl2N2O3S2 and a molecular weight of 419.36 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID55412213
Molecular FormulaC16H16Cl2N2O3S2
Molecular Weight419.36 g/mol
Exact Mass418.00
IUPAC NameN-(2,4-dichlorophenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)C1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C16H16Cl2N2O3S2/c17-12-5-6-14(13(18)9-12)19-16(21)11-3-1-7-20(10-11)25(22,23)15-4-2-8-24-15/h2,4-6,8-9,11H,1,3,7,10H2,(H,19,21)
InChIKeyMWFXHQKQYMXDHL-UHFFFAOYSA-N
XLogP4.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)piperidine-3-carboxamide
CID 43042431
(3R)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 30474020
(3S)-N-(3,4-difluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 7012522
N-(2,5-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826177
(3S)-N-(4-bromo-3-chlorophenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92642718
(3R)-1-(4-bromophenyl)sulfonyl-N-(2,4-dichlorophenyl)piperidine-3-carboxamide
CID 41302407
(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride
CID 42261450
(3-chlorophenyl)-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
CID 26334488
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
(3R)-1-thiophen-2-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 31942735
N-(1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826163
(3R)-N-[(1R)-1-(3-chlorophenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9092739

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 55412213) is N-(2,4-dichlorophenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)C1CCCN(S(=O)(=O)c2cccs2)C1.
What is the InChIKey of N-(2,4-dichlorophenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is MWFXHQKQYMXDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3S2/c17-12-5-6-14(13(18)9-12)19-16(21)11-3-1-7-20(10-11)25(22,23)15-4-2-8-24-15/h2,4-6,8-9,11H,1,3,7,10H2,(H,19,21).
What are the key properties of N-(2,4-dichlorophenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-(2,4-dichlorophenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 419.36 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 55412213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).