N-[5-chloro-2-(dimethylamino)phenyl]-1-(2-cyanophenyl)sulfonylpiperidine-4-carboxamide

C21H23ClN4O3S — CID 78816969

IUPACN-[5-chloro-2-(dimethylamino)phenyl]-1-(2-cyanophenyl)sulfonylpiperidine-4-carboxamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2C#N)CC1
InChIInChI=1S/C21H23ClN4O3S/c1-25(2)19-8-7-17(22)13-18(19)24-21(27)15-9-11-26(12-10-15)30(28,29)20-6-4-3-5-16(20)14-23/h3-8,13,15H,9-12H2,1-2H3,(H,24,27)
InChIKeyLYSTUSKVKPHBHT-UHFFFAOYSA-N
MW446.96 g/mol
LogP3.32
Rot. Bonds5

About N-[5-chloro-2-(dimethylamino)phenyl]-1-(2-cyanophenyl)sulfonylpiperidine-4-carboxamide

N-[5-chloro-2-(dimethylamino)phenyl]-1-(2-cyanophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 78816969) has the molecular formula C21H23ClN4O3S and a molecular weight of 446.96 g/mol. Its IUPAC name is N-[5-chloro-2-(dimethylamino)phenyl]-1-(2-cyanophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(dimethylamino)phenyl]-1-(2-cyanophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID78816969
Molecular FormulaC21H23ClN4O3S
Molecular Weight446.96 g/mol
Exact Mass446.12
IUPAC NameN-[5-chloro-2-(dimethylamino)phenyl]-1-(2-cyanophenyl)sulfonylpiperidine-4-carboxamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2C#N)CC1
InChIInChI=1S/C21H23ClN4O3S/c1-25(2)19-8-7-17(22)13-18(19)24-21(27)15-9-11-26(12-10-15)30(28,29)20-6-4-3-5-16(20)14-23/h3-8,13,15H,9-12H2,1-2H3,(H,24,27)
InChIKeyLYSTUSKVKPHBHT-UHFFFAOYSA-N
XLogP3.32
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.96
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-chloro-2-(dimethylamino)phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 55336383
N-[5-chloro-2-(dimethylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55336973
1-(2-cyanophenyl)sulfonyl-N-(2,6-difluorophenyl)piperidine-4-carboxamide
CID 55414122
1-(2-cyanophenyl)sulfonyl-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
CID 9081274
N-(5-chloro-2-methylphenyl)-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 24635780
1-(2-cyanophenyl)sulfonyl-N-(4-methylsulfanylphenyl)piperidine-4-carboxamide
CID 9180398
1-(2-cyanophenyl)sulfonyl-N-[3-(hydroxymethyl)phenyl]piperidine-4-carboxamide
CID 9092358
N-(4-chlorophenyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 166628369
(2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-(2,5-dichlorophenyl)propanamide
CID 2533044
N-(2-benzoyl-4-chlorophenyl)-1-(2-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 16935002
N-(5-chloro-2-methylphenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide
CID 31079598
1-(2-cyanophenyl)sulfonyl-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide
CID 26920976

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-1-(2-cyanophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-1-(2-cyanophenyl)sulfonylpiperidine-4-carboxamide (CID 78816969) is N-[5-chloro-2-(dimethylamino)phenyl]-1-(2-cyanophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(dimethylamino)phenyl]-1-(2-cyanophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[5-chloro-2-(dimethylamino)phenyl]-1-(2-cyanophenyl)sulfonylpiperidine-4-carboxamide is CN(C)c1ccc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2C#N)CC1.
What is the InChIKey of N-[5-chloro-2-(dimethylamino)phenyl]-1-(2-cyanophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is LYSTUSKVKPHBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O3S/c1-25(2)19-8-7-17(22)13-18(19)24-21(27)15-9-11-26(12-10-15)30(28,29)20-6-4-3-5-16(20)14-23/h3-8,13,15H,9-12H2,1-2H3,(H,24,27).
What are the key properties of N-[5-chloro-2-(dimethylamino)phenyl]-1-(2-cyanophenyl)sulfonylpiperidine-4-carboxamide?
N-[5-chloro-2-(dimethylamino)phenyl]-1-(2-cyanophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 446.96 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(dimethylamino)phenyl]-1-(2-cyanophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 78816969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).