N,N-dimethyl-3-(4-phenoxybenzoyl)piperidine-1-sulfonamide

C20H24N2O4S — CID 45245950

IUPACN,N-dimethyl-3-(4-phenoxybenzoyl)piperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCC(C(=O)c2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C20H24N2O4S/c1-21(2)27(24,25)22-14-6-7-17(15-22)20(23)16-10-12-19(13-11-16)26-18-8-4-3-5-9-18/h3-5,8-13,17H,6-7,14-15H2,1-2H3
InChIKeyQAFFEQKOGGDPNX-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.18
Rot. Bonds6

About N,N-dimethyl-3-(4-phenoxybenzoyl)piperidine-1-sulfonamide

N,N-dimethyl-3-(4-phenoxybenzoyl)piperidine-1-sulfonamide (PubChem CID 45245950) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N,N-dimethyl-3-(4-phenoxybenzoyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(4-phenoxybenzoyl)piperidine-1-sulfonamide
PubChem CID45245950
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN,N-dimethyl-3-(4-phenoxybenzoyl)piperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCC(C(=O)c2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C20H24N2O4S/c1-21(2)27(24,25)22-14-6-7-17(15-22)20(23)16-10-12-19(13-11-16)26-18-8-4-3-5-9-18/h3-5,8-13,17H,6-7,14-15H2,1-2H3
InChIKeyQAFFEQKOGGDPNX-UHFFFAOYSA-N
XLogP3.18
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-benzodioxole-5-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide
CID 45176869
[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
CID 29185356
1-(dimethylsulfamoyl)-N-phenylpiperidine-3-carboxamide
CID 46770903
2-methylsulfanyl-1-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]ethanone
CID 42306399
[1-(oxan-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
CID 45219197
[1-(1-ethylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
CID 45195996
(3R)-N-benzyl-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 39730085
(4-phenoxyphenyl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 45178915
3-[3-(4-phenoxybenzoyl)piperidin-1-yl]propanamide
CID 56863001
N-[2-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]ethyl]acetamide
CID 95415351
(3R)-1-(dimethylsulfamoyl)-N,N-dimethylpiperidine-3-carboxamide
CID 92684694
methyl 4-[[(3R)-1-(dimethylsulfamoyl)piperidine-3-carbonyl]amino]benzoate
CID 94011850

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(4-phenoxybenzoyl)piperidine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-3-(4-phenoxybenzoyl)piperidine-1-sulfonamide (CID 45245950) is N,N-dimethyl-3-(4-phenoxybenzoyl)piperidine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-3-(4-phenoxybenzoyl)piperidine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-3-(4-phenoxybenzoyl)piperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCCC(C(=O)c2ccc(Oc3ccccc3)cc2)C1.
What is the InChIKey of N,N-dimethyl-3-(4-phenoxybenzoyl)piperidine-1-sulfonamide?
The InChIKey is QAFFEQKOGGDPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-21(2)27(24,25)22-14-6-7-17(15-22)20(23)16-10-12-19(13-11-16)26-18-8-4-3-5-9-18/h3-5,8-13,17H,6-7,14-15H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(4-phenoxybenzoyl)piperidine-1-sulfonamide?
N,N-dimethyl-3-(4-phenoxybenzoyl)piperidine-1-sulfonamide has a molecular weight of 388.49 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(4-phenoxybenzoyl)piperidine-1-sulfonamide is sourced from PubChem (CID 45245950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).