N-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]ethenesulfonamide

C16H20Cl2N2O3S — CID 149101841

IUPACN-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]ethenesulfonamide
SMILESC=CS(=O)(=O)NC1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C16H20Cl2N2O3S/c1-2-24(22,23)19-14-7-9-20(10-8-14)16(21)6-4-12-3-5-13(17)11-15(12)18/h2-3,5,11,14,19H,1,4,6-10H2
InChIKeyQUUAAJYNMRAVFA-UHFFFAOYSA-N
MW391.32 g/mol
LogP2.98
Rot. Bonds6

About N-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]ethenesulfonamide

N-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]ethenesulfonamide (PubChem CID 149101841) has the molecular formula C16H20Cl2N2O3S and a molecular weight of 391.32 g/mol. Its IUPAC name is N-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]ethenesulfonamide.

Molecular Properties

Compound NameN-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]ethenesulfonamide
PubChem CID149101841
Molecular FormulaC16H20Cl2N2O3S
Molecular Weight391.32 g/mol
Exact Mass390.06
IUPAC NameN-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]ethenesulfonamide
SMILESC=CS(=O)(=O)NC1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C16H20Cl2N2O3S/c1-2-24(22,23)19-14-7-9-20(10-8-14)16(21)6-4-12-3-5-13(17)11-15(12)18/h2-3,5,11,14,19H,1,4,6-10H2
InChIKeyQUUAAJYNMRAVFA-UHFFFAOYSA-N
XLogP2.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]ethenesulfonamide 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

N-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 39205864
N-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46485063
3-(2,4-dichlorophenyl)-1-piperazin-1-ylpropan-1-one
CID 82134878
3-(2,4-dichlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 119647602
3-(2,4-dichlorophenyl)-1-(3-methylsulfonylpyrrolidin-1-yl)propan-1-one
CID 90586900
N-[1-[2-(2,4-dichloro-5-ethylphenoxy)acetyl]piperidin-4-yl]ethenesulfonamide
CID 157238457
N-[1-[2-(4,5-dichloro-2-ethylphenoxy)acetyl]piperidin-4-yl]ethenesulfonamide
CID 71815890
N-[1-[2-(4-chloro-2-hydroxy-5-phenylanilino)acetyl]piperidin-4-yl]ethenesulfonamide
CID 123884094
N-[2-[1-[3-(4,5-dichloro-2-hydroxyphenyl)propanoyl]piperidin-4-yl]ethyl]ethenesulfonamide
CID 134599270
3-[2-(2,4-dichlorophenyl)ethylamino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 109014364
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(2,4-dichlorophenyl)propan-1-one;hydrochloride
CID 120817658
2-[(2,4-dichlorophenyl)methylsulfanyl]-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119561173

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]ethenesulfonamide?
The IUPAC name of N-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]ethenesulfonamide (CID 149101841) is N-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]ethenesulfonamide.
What is the SMILES notation for N-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]ethenesulfonamide?
The canonical SMILES for N-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]ethenesulfonamide is C=CS(=O)(=O)NC1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of N-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]ethenesulfonamide?
The InChIKey is QUUAAJYNMRAVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O3S/c1-2-24(22,23)19-14-7-9-20(10-8-14)16(21)6-4-12-3-5-13(17)11-15(12)18/h2-3,5,11,14,19H,1,4,6-10H2.
What are the key properties of N-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]ethenesulfonamide?
N-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]ethenesulfonamide has a molecular weight of 391.32 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]ethenesulfonamide is sourced from PubChem (CID 149101841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).