3-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide

C20H25Cl2N3O6S2 — CID 46088867

IUPAC3-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(OC)c(N2CCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)c1
InChIInChI=1S/C20H25Cl2N3O6S2/c1-30-10-5-23-32(26,27)17-3-4-20(31-2)19(14-17)24-6-8-25(9-7-24)33(28,29)18-12-15(21)11-16(22)13-18/h3-4,11-14,23H,5-10H2,1-2H3
InChIKeySETSYDBJYZSKSO-UHFFFAOYSA-N
MW538.48 g/mol
LogP2.44
Rot. Bonds9

About 3-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide

3-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 46088867) has the molecular formula C20H25Cl2N3O6S2 and a molecular weight of 538.48 g/mol. Its IUPAC name is 3-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID46088867
Molecular FormulaC20H25Cl2N3O6S2
Molecular Weight538.48 g/mol
Exact Mass537.06
IUPAC Name3-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(OC)c(N2CCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)c1
InChIInChI=1S/C20H25Cl2N3O6S2/c1-30-10-5-23-32(26,27)17-3-4-20(31-2)19(14-17)24-6-8-25(9-7-24)33(28,29)18-12-15(21)11-16(22)13-18/h3-4,11-14,23H,5-10H2,1-2H3
InChIKeySETSYDBJYZSKSO-UHFFFAOYSA-N
XLogP2.44
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.48
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-(2-methoxyethyl)-3-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]benzenesulfonamide
CID 46088866
1-(3,5-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 2741701
4-methoxy-N-(2-methoxyethyl)-3-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]benzenesulfonamide
CID 46088510
4-[3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-4-methoxyphenyl]sulfonylmorpholine
CID 46088188
3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 98418735
3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-4-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 46088940
3-bromo-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 2880554
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(5-chloro-2-methylphenyl)piperazine
CID 1255328
3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 46088874
3-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-4-methoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 46088955
3-chloro-4-methoxy-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide
CID 30126082
3-(4-butylsulfonylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide
CID 46088808

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of 3-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide (CID 46088867) is 3-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for 3-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for 3-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide is COCCNS(=O)(=O)c1ccc(OC)c(N2CCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)c1.
What is the InChIKey of 3-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is SETSYDBJYZSKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl2N3O6S2/c1-30-10-5-23-32(26,27)17-3-4-20(31-2)19(14-17)24-6-8-25(9-7-24)33(28,29)18-12-15(21)11-16(22)13-18/h3-4,11-14,23H,5-10H2,1-2H3.
What are the key properties of 3-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide?
3-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 538.48 g/mol, XLogP of 2.44, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 46088867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).