1-(3,4-dichlorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide

C18H18Cl2N2O3S — CID 24511493

IUPAC1-(3,4-dichlorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H18Cl2N2O3S/c19-16-7-6-15(12-17(16)20)26(24,25)22-10-8-13(9-11-22)18(23)21-14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H,21,23)
InChIKeyOSROQYALVCITGS-UHFFFAOYSA-N
MW413.33 g/mol
LogP4.03
Rot. Bonds4

About 1-(3,4-dichlorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide

1-(3,4-dichlorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide (PubChem CID 24511493) has the molecular formula C18H18Cl2N2O3S and a molecular weight of 413.33 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
PubChem CID24511493
Molecular FormulaC18H18Cl2N2O3S
Molecular Weight413.33 g/mol
Exact Mass412.04
IUPAC Name1-(3,4-dichlorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H18Cl2N2O3S/c19-16-7-6-15(12-17(16)20)26(24,25)22-10-8-13(9-11-22)18(23)21-14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H,21,23)
InChIKeyOSROQYALVCITGS-UHFFFAOYSA-N
XLogP4.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.33
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 24638766
N-(4-anilinophenyl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 46554409
4-[[1-(4-chloro-3-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoic acid
CID 1444979
1-(3,4-dichlorophenyl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 27234369
N-(4-acetamidophenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26499572
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-phenylpiperidine-4-carboxamide
CID 4824119
N-(4-anilinophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 46652612
1-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 1326765
methyl 2-bromo-5-[4-(phenylcarbamoyl)piperidin-1-yl]sulfonylbenzoate
CID 55922968
N-(3-acetylphenyl)-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 39752679
1-(3-methyl-4-propan-2-yloxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 39633304
1-naphthalen-2-ylsulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 6458338

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-(3,4-dichlorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide (CID 24511493) is 1-(3,4-dichlorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide is O=C(Nc1ccccc1)C1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide?
The InChIKey is OSROQYALVCITGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3S/c19-16-7-6-15(12-17(16)20)26(24,25)22-10-8-13(9-11-22)18(23)21-14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H,21,23).
What are the key properties of 1-(3,4-dichlorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide?
1-(3,4-dichlorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide has a molecular weight of 413.33 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 24511493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).