N-[1-[2-(4-chloro-5-methoxy-2-methylanilino)acetyl]piperidin-4-yl]ethenesulfonamide

C17H24ClN3O4S — CID 123618131

IUPACN-[1-[2-(4-chloro-5-methoxy-2-methylanilino)acetyl]piperidin-4-yl]ethenesulfonamide
SMILESC=CS(=O)(=O)NC1CCN(C(=O)CNc2cc(OC)c(Cl)cc2C)CC1
InChIInChI=1S/C17H24ClN3O4S/c1-4-26(23,24)20-13-5-7-21(8-6-13)17(22)11-19-15-10-16(25-3)14(18)9-12(15)2/h4,9-10,13,19-20H,1,5-8,11H2,2-3H3
InChIKeyHOFNJGSGLRHCQU-UHFFFAOYSA-N
MW401.92 g/mol
LogP2.12
Rot. Bonds7

About N-[1-[2-(4-chloro-5-methoxy-2-methylanilino)acetyl]piperidin-4-yl]ethenesulfonamide

N-[1-[2-(4-chloro-5-methoxy-2-methylanilino)acetyl]piperidin-4-yl]ethenesulfonamide (PubChem CID 123618131) has the molecular formula C17H24ClN3O4S and a molecular weight of 401.92 g/mol. Its IUPAC name is N-[1-[2-(4-chloro-5-methoxy-2-methylanilino)acetyl]piperidin-4-yl]ethenesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(4-chloro-5-methoxy-2-methylanilino)acetyl]piperidin-4-yl]ethenesulfonamide
PubChem CID123618131
Molecular FormulaC17H24ClN3O4S
Molecular Weight401.92 g/mol
Exact Mass401.12
IUPAC NameN-[1-[2-(4-chloro-5-methoxy-2-methylanilino)acetyl]piperidin-4-yl]ethenesulfonamide
SMILESC=CS(=O)(=O)NC1CCN(C(=O)CNc2cc(OC)c(Cl)cc2C)CC1
InChIInChI=1S/C17H24ClN3O4S/c1-4-26(23,24)20-13-5-7-21(8-6-13)17(22)11-19-15-10-16(25-3)14(18)9-12(15)2/h4,9-10,13,19-20H,1,5-8,11H2,2-3H3
InChIKeyHOFNJGSGLRHCQU-UHFFFAOYSA-N
XLogP2.12
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(2-chloro-5-iodo-4-methylphenoxy)acetyl]piperidin-4-yl]ethenesulfonamide
CID 170069508
N-[1-[2-(5-bromo-2-chloro-4-methylphenoxy)acetyl]piperidin-4-yl]ethenesulfonamide
CID 170069523
4-chloro-5-[2-[4-(ethenylsulfonylamino)piperidin-1-yl]-2-oxoethoxy]-N-ethyl-2-methylbenzamide
CID 170069559
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-(4,5-dichloro-2-methylphenyl)-2-[4-(ethenylsulfonylamino)piperidin-1-yl]acetamide
CID 123261379
N-[1-[2-(2-bromo-4-methylphenoxy)acetyl]piperidin-4-yl]ethenesulfonamide
CID 170069452
N-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]ethenesulfonamide
CID 149101841
N-[1-[2-(4-chloro-2-hydroxy-5-methylanilino)acetyl]piperidin-4-yl]prop-2-enamide;ethane
CID 142573040
N-[[1-[2-(4-chloro-5-iodo-2-methoxyanilino)acetyl]piperidin-4-yl]methyl]prop-2-enamide
CID 176855027
1-[4-[2-(4,5-dichloro-2-methoxyanilino)acetyl]piperazin-1-yl]-3-sulfanylpropan-1-one
CID 71819730

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-chloro-5-methoxy-2-methylanilino)acetyl]piperidin-4-yl]ethenesulfonamide?
The IUPAC name of N-[1-[2-(4-chloro-5-methoxy-2-methylanilino)acetyl]piperidin-4-yl]ethenesulfonamide (CID 123618131) is N-[1-[2-(4-chloro-5-methoxy-2-methylanilino)acetyl]piperidin-4-yl]ethenesulfonamide.
What is the SMILES notation for N-[1-[2-(4-chloro-5-methoxy-2-methylanilino)acetyl]piperidin-4-yl]ethenesulfonamide?
The canonical SMILES for N-[1-[2-(4-chloro-5-methoxy-2-methylanilino)acetyl]piperidin-4-yl]ethenesulfonamide is C=CS(=O)(=O)NC1CCN(C(=O)CNc2cc(OC)c(Cl)cc2C)CC1.
What is the InChIKey of N-[1-[2-(4-chloro-5-methoxy-2-methylanilino)acetyl]piperidin-4-yl]ethenesulfonamide?
The InChIKey is HOFNJGSGLRHCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O4S/c1-4-26(23,24)20-13-5-7-21(8-6-13)17(22)11-19-15-10-16(25-3)14(18)9-12(15)2/h4,9-10,13,19-20H,1,5-8,11H2,2-3H3.
What are the key properties of N-[1-[2-(4-chloro-5-methoxy-2-methylanilino)acetyl]piperidin-4-yl]ethenesulfonamide?
N-[1-[2-(4-chloro-5-methoxy-2-methylanilino)acetyl]piperidin-4-yl]ethenesulfonamide has a molecular weight of 401.92 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-chloro-5-methoxy-2-methylanilino)acetyl]piperidin-4-yl]ethenesulfonamide is sourced from PubChem (CID 123618131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).