1-(5-tert-butyl-2-ethoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine

C24H34N2O3S — CID 91669913

IUPAC1-(5-tert-butyl-2-ethoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
SMILESCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C24H34N2O3S/c1-7-29-22-12-11-20(24(4,5)6)17-23(22)30(27,28)26-15-13-25(14-16-26)21-10-8-9-18(2)19(21)3/h8-12,17H,7,13-16H2,1-6H3
InChIKeyXICQDWCRCOITCX-UHFFFAOYSA-N
MW430.61 g/mol
LogP4.51
Rot. Bonds5

About 1-(5-tert-butyl-2-ethoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine

1-(5-tert-butyl-2-ethoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine (PubChem CID 91669913) has the molecular formula C24H34N2O3S and a molecular weight of 430.61 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-ethoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-(5-tert-butyl-2-ethoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
PubChem CID91669913
Molecular FormulaC24H34N2O3S
Molecular Weight430.61 g/mol
Exact Mass430.23
IUPAC Name1-(5-tert-butyl-2-ethoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
SMILESCCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C24H34N2O3S/c1-7-29-22-12-11-20(24(4,5)6)17-23(22)30(27,28)26-15-13-25(14-16-26)21-10-8-9-18(2)19(21)3/h8-12,17H,7,13-16H2,1-6H3
InChIKeyXICQDWCRCOITCX-UHFFFAOYSA-N
XLogP4.51
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.61
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-tert-butyl-2-methoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 16644832
4-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-4-ethoxyphenyl]-2-methyl-1,3-thiazole
CID 53117960
1-(3-chloro-2-methylphenyl)-4-(2,5-diethoxyphenyl)sulfonylpiperazine
CID 1178575
1-(2,3-dimethylphenyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
CID 1260959
1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-(2-ethoxyphenyl)piperazine
CID 4993923
1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 2114453
1-(2-butoxy-5-tert-butylphenyl)sulfonyl-4-phenylpiperazine
CID 16645141
5-tert-butyl-N-[2-[4-(5-tert-butyl-2-ethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-2-ethoxybenzenesulfonamide
CID 91670274
ethyl 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-1,5-dimethylpyrrole-2-carboxylate
CID 53069164
1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine
CID 2209348
1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 2196606
1-(3-chloro-2-methylphenyl)-4-(5-ethyl-2-methoxyphenyl)sulfonylpiperazine
CID 91669996

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-ethoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine?
The IUPAC name of 1-(5-tert-butyl-2-ethoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine (CID 91669913) is 1-(5-tert-butyl-2-ethoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine.
What is the SMILES notation for 1-(5-tert-butyl-2-ethoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine?
The canonical SMILES for 1-(5-tert-butyl-2-ethoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine is CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1.
What is the InChIKey of 1-(5-tert-butyl-2-ethoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine?
The InChIKey is XICQDWCRCOITCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3S/c1-7-29-22-12-11-20(24(4,5)6)17-23(22)30(27,28)26-15-13-25(14-16-26)21-10-8-9-18(2)19(21)3/h8-12,17H,7,13-16H2,1-6H3.
What are the key properties of 1-(5-tert-butyl-2-ethoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine?
1-(5-tert-butyl-2-ethoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine has a molecular weight of 430.61 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-ethoxyphenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine is sourced from PubChem (CID 91669913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).