N-(3-cyanophenyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide

C19H17Cl2N3O3S — CID 26727729

IUPACN-(3-cyanophenyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide
SMILESN#Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c1
InChIInChI=1S/C19H17Cl2N3O3S/c20-16-5-2-6-17(21)18(16)28(26,27)24-9-7-14(8-10-24)19(25)23-15-4-1-3-13(11-15)12-22/h1-6,11,14H,7-10H2,(H,23,25)
InChIKeyWPZYZHPHWGJFST-UHFFFAOYSA-N
MW438.34 g/mol
LogP3.90
Rot. Bonds4

About N-(3-cyanophenyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide

N-(3-cyanophenyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 26727729) has the molecular formula C19H17Cl2N3O3S and a molecular weight of 438.34 g/mol. Its IUPAC name is N-(3-cyanophenyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID26727729
Molecular FormulaC19H17Cl2N3O3S
Molecular Weight438.34 g/mol
Exact Mass437.04
IUPAC NameN-(3-cyanophenyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide
SMILESN#Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c1
InChIInChI=1S/C19H17Cl2N3O3S/c20-16-5-2-6-17(21)18(16)28(26,27)24-9-7-14(8-10-24)19(25)23-15-4-1-3-13(11-15)12-22/h1-6,11,14H,7-10H2,(H,23,25)
InChIKeyWPZYZHPHWGJFST-UHFFFAOYSA-N
XLogP3.90
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.34
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 100780352
N-(3-carbamoyl-4-chlorophenyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 46570709
1-N-(3-chloro-4-methylphenyl)-4-N-(3-cyanophenyl)cyclohexane-1,4-dicarboxamide
CID 109151001
N-(3-cyanophenyl)-1-methylpiperidine-3-carboxamide
CID 110864808
1-(2,6-dichlorophenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 40630200
N-(3-cyanophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 110335753
N-(3-cyanophenyl)-4-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-1-benzofuran-2-carboxamide
CID 170699594
1-(2,6-dichlorophenyl)sulfonyl-N-[4-(difluoromethoxy)phenyl]piperidine-4-carboxamide
CID 34033160
N-(3-cyanophenyl)-1-(2,6-dimethoxybenzoyl)piperidine-4-carboxamide
CID 113008763
1-(2,6-difluorophenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 38255420
4-N-(3-cyanophenyl)-1-N-(3,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109151170
(3S)-1-(4-chlorobenzoyl)-N-(3-cyanophenyl)piperidine-3-carboxamide
CID 9110672

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide (CID 26727729) is N-(3-cyanophenyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide is N#Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c1.
What is the InChIKey of N-(3-cyanophenyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is WPZYZHPHWGJFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O3S/c20-16-5-2-6-17(21)18(16)28(26,27)24-9-7-14(8-10-24)19(25)23-15-4-1-3-13(11-15)12-22/h1-6,11,14H,7-10H2,(H,23,25).
What are the key properties of N-(3-cyanophenyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide?
N-(3-cyanophenyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 438.34 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 26727729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).