4-(3,5-dichlorophenoxy)-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide

C19H21Cl2N3O4S — CID 59260923

IUPAC4-(3,5-dichlorophenoxy)-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide
SMILESCN(C)C(=O)c1ccc(Oc2cc(Cl)cc(Cl)c2)c(S(=O)(=O)N2CCNCC2)c1
InChIInChI=1S/C19H21Cl2N3O4S/c1-23(2)19(25)13-3-4-17(28-16-11-14(20)10-15(21)12-16)18(9-13)29(26,27)24-7-5-22-6-8-24/h3-4,9-12,22H,5-8H2,1-2H3
InChIKeyCKKPRWHRIXSEGK-UHFFFAOYSA-N
MW458.37 g/mol
LogP3.08
Rot. Bonds5

About 4-(3,5-dichlorophenoxy)-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide

4-(3,5-dichlorophenoxy)-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide (PubChem CID 59260923) has the molecular formula C19H21Cl2N3O4S and a molecular weight of 458.37 g/mol. Its IUPAC name is 4-(3,5-dichlorophenoxy)-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-(3,5-dichlorophenoxy)-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide
PubChem CID59260923
Molecular FormulaC19H21Cl2N3O4S
Molecular Weight458.37 g/mol
Exact Mass457.06
IUPAC Name4-(3,5-dichlorophenoxy)-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide
SMILESCN(C)C(=O)c1ccc(Oc2cc(Cl)cc(Cl)c2)c(S(=O)(=O)N2CCNCC2)c1
InChIInChI=1S/C19H21Cl2N3O4S/c1-23(2)19(25)13-3-4-17(28-16-11-14(20)10-15(21)12-16)18(9-13)29(26,27)24-7-5-22-6-8-24/h3-4,9-12,22H,5-8H2,1-2H3
InChIKeyCKKPRWHRIXSEGK-UHFFFAOYSA-N
XLogP3.08
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,5-dimethylphenoxy)-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide
CID 67547734
tert-butyl 4-[2-(3,5-dichlorophenoxy)-5-(dimethylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate
CID 59260784
1-[5-bromo-2-(3,5-dichlorophenoxy)phenyl]sulfonylpiperazine
CID 59260730
2-chloro-4-(3,5-dichlorophenoxy)-5-piperazin-1-ylsulfonylbenzoate
CID 59260924
5-chloro-2-methoxy-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide
CID 120893957
1-[4-[2-(3,5-dichlorophenoxy)-5-methylphenyl]sulfonylpiperazin-1-yl]ethanone
CID 90740064
5-chloro-2-methoxy-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide;hydrochloride
CID 120893956
tert-butyl 4-[5-cyano-2-(3,5-dichlorophenoxy)phenyl]sulfonyl-1,4-diazepane-1-carboxylate;3-(1,4-diazepan-1-ylsulfonyl)-4-(3,5-dichlorophenoxy)benzonitrile;hydrochloride
CID 158770344
4-chloro-N,N-dimethyl-3-morpholin-4-ylsulfonylbenzamide
CID 1092795
1-[2-(3,5-dimethylphenoxy)-5-iodophenyl]sulfonylpiperazine
CID 59260774
1-[2-(3,5-dimethylphenoxy)-5-nitrophenyl]sulfonylpiperazine
CID 59260765
[1-[5-cyano-2-(3,5-dichlorophenoxy)phenyl]sulfonylpiperazin-2-yl] hydrogen carbonate
CID 68808251

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichlorophenoxy)-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide?
The IUPAC name of 4-(3,5-dichlorophenoxy)-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide (CID 59260923) is 4-(3,5-dichlorophenoxy)-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-(3,5-dichlorophenoxy)-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-(3,5-dichlorophenoxy)-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide is CN(C)C(=O)c1ccc(Oc2cc(Cl)cc(Cl)c2)c(S(=O)(=O)N2CCNCC2)c1.
What is the InChIKey of 4-(3,5-dichlorophenoxy)-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide?
The InChIKey is CKKPRWHRIXSEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O4S/c1-23(2)19(25)13-3-4-17(28-16-11-14(20)10-15(21)12-16)18(9-13)29(26,27)24-7-5-22-6-8-24/h3-4,9-12,22H,5-8H2,1-2H3.
What are the key properties of 4-(3,5-dichlorophenoxy)-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide?
4-(3,5-dichlorophenoxy)-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide has a molecular weight of 458.37 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichlorophenoxy)-N,N-dimethyl-3-piperazin-1-ylsulfonylbenzamide is sourced from PubChem (CID 59260923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).