1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-N,N-diethylpiperidine-3-carboxamide

C16H22Cl2N2O4S — CID 3743179

IUPAC1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2O)C1
InChIInChI=1S/C16H22Cl2N2O4S/c1-3-19(4-2)16(22)11-6-5-7-20(10-11)25(23,24)14-9-12(17)8-13(18)15(14)21/h8-9,11,21H,3-7,10H2,1-2H3
InChIKeyXJFFWJLRJGCJOM-UHFFFAOYSA-N
MW409.34 g/mol
LogP2.97
Rot. Bonds5

About 1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-N,N-diethylpiperidine-3-carboxamide

1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-N,N-diethylpiperidine-3-carboxamide (PubChem CID 3743179) has the molecular formula C16H22Cl2N2O4S and a molecular weight of 409.34 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-N,N-diethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-N,N-diethylpiperidine-3-carboxamide
PubChem CID3743179
Molecular FormulaC16H22Cl2N2O4S
Molecular Weight409.34 g/mol
Exact Mass408.07
IUPAC Name1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2O)C1
InChIInChI=1S/C16H22Cl2N2O4S/c1-3-19(4-2)16(22)11-6-5-7-20(10-11)25(23,24)14-9-12(17)8-13(18)15(14)21/h8-9,11,21H,3-7,10H2,1-2H3
InChIKeyXJFFWJLRJGCJOM-UHFFFAOYSA-N
XLogP2.97
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_A(43)', 'substructure': 'N/A'}

Analyze 1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-N,N-diethylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-4-fluorophenyl)sulfonyl-N,N-diethylpiperidine-3-carboxamide
CID 3846784
(3S)-1-(2,5-dimethylphenyl)sulfonyl-N,N-diethylpiperidine-3-carboxamide
CID 100780184
(3S)-1-(dimethylsulfamoyl)-N,N-diethylpiperidine-3-carboxamide
CID 92685694
N,N-diethyl-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 23992171
N,N-diethyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 3863405
N-benzyl-1-(4-chlorophenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
CID 18148402
ethyl (3R)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxylate
CID 1273285
(3R)-N,N-diethyl-1-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 40782800
(3S)-N-benzyl-1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 126397995
2,4-dichloro-6-(4-ethylpiperazin-1-yl)sulfonylphenol
CID 4912877
1-(2,4-dichlorobenzoyl)-N,N-diethylpiperidine-3-carboxamide
CID 42695501
(3S)-1-[(2,4-dichlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 762813

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-N,N-diethylpiperidine-3-carboxamide?
The IUPAC name of 1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-N,N-diethylpiperidine-3-carboxamide (CID 3743179) is 1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-N,N-diethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-N,N-diethylpiperidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-N,N-diethylpiperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2O)C1.
What is the InChIKey of 1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-N,N-diethylpiperidine-3-carboxamide?
The InChIKey is XJFFWJLRJGCJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O4S/c1-3-19(4-2)16(22)11-6-5-7-20(10-11)25(23,24)14-9-12(17)8-13(18)15(14)21/h8-9,11,21H,3-7,10H2,1-2H3.
What are the key properties of 1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-N,N-diethylpiperidine-3-carboxamide?
1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-N,N-diethylpiperidine-3-carboxamide has a molecular weight of 409.34 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-hydroxyphenyl)sulfonyl-N,N-diethylpiperidine-3-carboxamide is sourced from PubChem (CID 3743179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).