N-[2-[1-[3-(4,5-dichloro-2-hydroxyphenyl)propanoyl]piperidin-4-yl]ethyl]ethenesulfonamide

C18H24Cl2N2O4S — CID 134599270

IUPACN-[2-[1-[3-(4,5-dichloro-2-hydroxyphenyl)propanoyl]piperidin-4-yl]ethyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NCCC1CCN(C(=O)CCc2cc(Cl)c(Cl)cc2O)CC1
InChIInChI=1S/C18H24Cl2N2O4S/c1-2-27(25,26)21-8-5-13-6-9-22(10-7-13)18(24)4-3-14-11-15(19)16(20)12-17(14)23/h2,11-13,21,23H,1,3-10H2
InChIKeyOOVVFCRXNYWJLL-UHFFFAOYSA-N
MW435.37 g/mol
LogP3.32
Rot. Bonds8

About N-[2-[1-[3-(4,5-dichloro-2-hydroxyphenyl)propanoyl]piperidin-4-yl]ethyl]ethenesulfonamide

N-[2-[1-[3-(4,5-dichloro-2-hydroxyphenyl)propanoyl]piperidin-4-yl]ethyl]ethenesulfonamide (PubChem CID 134599270) has the molecular formula C18H24Cl2N2O4S and a molecular weight of 435.37 g/mol. Its IUPAC name is N-[2-[1-[3-(4,5-dichloro-2-hydroxyphenyl)propanoyl]piperidin-4-yl]ethyl]ethenesulfonamide.

Molecular Properties

Compound NameN-[2-[1-[3-(4,5-dichloro-2-hydroxyphenyl)propanoyl]piperidin-4-yl]ethyl]ethenesulfonamide
PubChem CID134599270
Molecular FormulaC18H24Cl2N2O4S
Molecular Weight435.37 g/mol
Exact Mass434.08
IUPAC NameN-[2-[1-[3-(4,5-dichloro-2-hydroxyphenyl)propanoyl]piperidin-4-yl]ethyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NCCC1CCN(C(=O)CCc2cc(Cl)c(Cl)cc2O)CC1
InChIInChI=1S/C18H24Cl2N2O4S/c1-2-27(25,26)21-8-5-13-6-9-22(10-7-13)18(24)4-3-14-11-15(19)16(20)12-17(14)23/h2,11-13,21,23H,1,3-10H2
InChIKeyOOVVFCRXNYWJLL-UHFFFAOYSA-N
XLogP3.32
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.37
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]ethenesulfonamide
CID 149101841
N-[(3R)-1-[3-(4,5-dichloro-2-hydroxyphenyl)propanoyl]piperidin-3-yl]-N-(2-hydroxyethyl)prop-2-enamide
CID 147203332
N-[1-[2-(4,5-dichloro-2-ethylphenoxy)acetyl]piperidin-4-yl]ethenesulfonamide
CID 71815890
3-(2,4-dichlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 119647602
N-[[(3S)-1-(3,5-difluorobenzoyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211417
3-[4-chloro-5-(4-fluorophenyl)-2-hydroxyphenyl]-1-(5-prop-2-enoyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)propan-1-one
CID 147934466
N-[1-[2-(4-chloro-2-hydroxy-5-phenylanilino)acetyl]piperidin-4-yl]ethenesulfonamide
CID 123884094
N-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46485063
3-(2,4-dichlorophenyl)-1-(3-methylsulfonylpyrrolidin-1-yl)propan-1-one
CID 90586900
N-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211914
3-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propanoic acid
CID 62217825
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-chlorobenzenesulfonamide
CID 53103868

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[3-(4,5-dichloro-2-hydroxyphenyl)propanoyl]piperidin-4-yl]ethyl]ethenesulfonamide?
The IUPAC name of N-[2-[1-[3-(4,5-dichloro-2-hydroxyphenyl)propanoyl]piperidin-4-yl]ethyl]ethenesulfonamide (CID 134599270) is N-[2-[1-[3-(4,5-dichloro-2-hydroxyphenyl)propanoyl]piperidin-4-yl]ethyl]ethenesulfonamide.
What is the SMILES notation for N-[2-[1-[3-(4,5-dichloro-2-hydroxyphenyl)propanoyl]piperidin-4-yl]ethyl]ethenesulfonamide?
The canonical SMILES for N-[2-[1-[3-(4,5-dichloro-2-hydroxyphenyl)propanoyl]piperidin-4-yl]ethyl]ethenesulfonamide is C=CS(=O)(=O)NCCC1CCN(C(=O)CCc2cc(Cl)c(Cl)cc2O)CC1.
What is the InChIKey of N-[2-[1-[3-(4,5-dichloro-2-hydroxyphenyl)propanoyl]piperidin-4-yl]ethyl]ethenesulfonamide?
The InChIKey is OOVVFCRXNYWJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N2O4S/c1-2-27(25,26)21-8-5-13-6-9-22(10-7-13)18(24)4-3-14-11-15(19)16(20)12-17(14)23/h2,11-13,21,23H,1,3-10H2.
What are the key properties of N-[2-[1-[3-(4,5-dichloro-2-hydroxyphenyl)propanoyl]piperidin-4-yl]ethyl]ethenesulfonamide?
N-[2-[1-[3-(4,5-dichloro-2-hydroxyphenyl)propanoyl]piperidin-4-yl]ethyl]ethenesulfonamide has a molecular weight of 435.37 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[3-(4,5-dichloro-2-hydroxyphenyl)propanoyl]piperidin-4-yl]ethyl]ethenesulfonamide is sourced from PubChem (CID 134599270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).