1-(2-chlorophenyl)-4-(3,4-diethoxyphenyl)sulfonylpiperazine

C20H25ClN2O4S — CID 9030930

IUPAC1-(2-chlorophenyl)-4-(3,4-diethoxyphenyl)sulfonylpiperazine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)cc1OCC
InChIInChI=1S/C20H25ClN2O4S/c1-3-26-19-10-9-16(15-20(19)27-4-2)28(24,25)23-13-11-22(12-14-23)18-8-6-5-7-17(18)21/h5-10,15H,3-4,11-14H2,1-2H3
InChIKeyAXVYXTFWYDJNMN-UHFFFAOYSA-N
MW424.95 g/mol
LogP3.65
Rot. Bonds7

About 1-(2-chlorophenyl)-4-(3,4-diethoxyphenyl)sulfonylpiperazine

1-(2-chlorophenyl)-4-(3,4-diethoxyphenyl)sulfonylpiperazine (PubChem CID 9030930) has the molecular formula C20H25ClN2O4S and a molecular weight of 424.95 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-(3,4-diethoxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-(3,4-diethoxyphenyl)sulfonylpiperazine
PubChem CID9030930
Molecular FormulaC20H25ClN2O4S
Molecular Weight424.95 g/mol
Exact Mass424.12
IUPAC Name1-(2-chlorophenyl)-4-(3,4-diethoxyphenyl)sulfonylpiperazine
SMILESCCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)cc1OCC
InChIInChI=1S/C20H25ClN2O4S/c1-3-26-19-10-9-16(15-20(19)27-4-2)28(24,25)23-13-11-22(12-14-23)18-8-6-5-7-17(18)21/h5-10,15H,3-4,11-14H2,1-2H3
InChIKeyAXVYXTFWYDJNMN-UHFFFAOYSA-N
XLogP3.65
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromo-3-ethoxyphenyl)sulfonyl-4-(3-chloro-2-methylphenyl)piperazine
CID 91670040
1-(4-butoxy-3-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine
CID 100671557
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-(2-ethylphenyl)piperazine
CID 113075861
1-(3,4-diethoxyphenyl)sulfonylpiperidine-4-carboxylic acid
CID 45445124
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1201987
1-(4-bromo-3-methylphenyl)sulfonyl-4-(2-chlorophenyl)piperazine
CID 26947991
1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(2,3-dichlorophenyl)piperazine
CID 91670186
1-(4-ethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1098869
N-[1-(3,4-diethoxyphenyl)sulfonylpiperidin-4-yl]methanesulfonamide
CID 24678943
1-(3-chloro-2-methylphenyl)-4-(2,5-diethoxyphenyl)sulfonylpiperazine
CID 1178575
1-(3,4-diethoxyphenyl)sulfonyl-1,4-diazepane
CID 119963333
3,4-diethoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 9030810

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-(3,4-diethoxyphenyl)sulfonylpiperazine?
The IUPAC name of 1-(2-chlorophenyl)-4-(3,4-diethoxyphenyl)sulfonylpiperazine (CID 9030930) is 1-(2-chlorophenyl)-4-(3,4-diethoxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2-chlorophenyl)-4-(3,4-diethoxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2-chlorophenyl)-4-(3,4-diethoxyphenyl)sulfonylpiperazine is CCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)cc1OCC.
What is the InChIKey of 1-(2-chlorophenyl)-4-(3,4-diethoxyphenyl)sulfonylpiperazine?
The InChIKey is AXVYXTFWYDJNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O4S/c1-3-26-19-10-9-16(15-20(19)27-4-2)28(24,25)23-13-11-22(12-14-23)18-8-6-5-7-17(18)21/h5-10,15H,3-4,11-14H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-4-(3,4-diethoxyphenyl)sulfonylpiperazine?
1-(2-chlorophenyl)-4-(3,4-diethoxyphenyl)sulfonylpiperazine has a molecular weight of 424.95 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-(3,4-diethoxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 9030930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).