N-(3,4-dichlorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide

C20H23Cl2N3O4S — CID 1334829

IUPACN-(3,4-dichlorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
SMILESCOc1ccccc1N1CCN(C(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)CC1
InChIInChI=1S/C20H23Cl2N3O4S/c1-29-19-6-4-3-5-18(19)23-9-11-24(12-10-23)20(26)14-25(30(2,27)28)15-7-8-16(21)17(22)13-15/h3-8,13H,9-12,14H2,1-2H3
InChIKeyUMFOUTVDPSMWQJ-UHFFFAOYSA-N
MW472.39 g/mol
LogP3.12
Rot. Bonds6

About N-(3,4-dichlorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide

N-(3,4-dichlorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide (PubChem CID 1334829) has the molecular formula C20H23Cl2N3O4S and a molecular weight of 472.39 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
PubChem CID1334829
Molecular FormulaC20H23Cl2N3O4S
Molecular Weight472.39 g/mol
Exact Mass471.08
IUPAC NameN-(3,4-dichlorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
SMILESCOc1ccccc1N1CCN(C(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)CC1
InChIInChI=1S/C20H23Cl2N3O4S/c1-29-19-6-4-3-5-18(19)23-9-11-24(12-10-23)20(26)14-25(30(2,27)28)15-7-8-16(21)17(22)13-15/h3-8,13H,9-12,14H2,1-2H3
InChIKeyUMFOUTVDPSMWQJ-UHFFFAOYSA-N
XLogP3.12
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.39
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 1145292
N-(3-chloro-4-methoxyphenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 1163693
4-chloro-N-(3,4-dimethylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 126186931
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 2884049
N-(4-fluorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 2899307
N-[2-(dimethylamino)ethyl]-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 113149824
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(3-chloro-4-methoxyphenyl)methanesulfonamide
CID 51342943
N-(3-chloro-4-fluorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethoxybenzenesulfonamide
CID 43899667
N-(3,4-dimethoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]methanesulfonamide
CID 1085637
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methoxyphenyl)acetamide
CID 126035617
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide
CID 1021969
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-(3-methylbutyl)methanesulfonamide
CID 113153244

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-(3,4-dichlorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide (CID 1334829) is N-(3,4-dichlorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide is COc1ccccc1N1CCN(C(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)CC1.
What is the InChIKey of N-(3,4-dichlorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide?
The InChIKey is UMFOUTVDPSMWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O4S/c1-29-19-6-4-3-5-18(19)23-9-11-24(12-10-23)20(26)14-25(30(2,27)28)15-7-8-16(21)17(22)13-15/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of N-(3,4-dichlorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide?
N-(3,4-dichlorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide has a molecular weight of 472.39 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 1334829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).