1-(benzenesulfonyl)-4-[(2,3-dimethoxyphenyl)methyl]piperazine

C19H24N2O4S — CID 1122436

IUPAC1-(benzenesulfonyl)-4-[(2,3-dimethoxyphenyl)methyl]piperazine
SMILESCOc1cccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)c1OC
InChIInChI=1S/C19H24N2O4S/c1-24-18-10-6-7-16(19(18)25-2)15-20-11-13-21(14-12-20)26(22,23)17-8-4-3-5-9-17/h3-10H,11-15H2,1-2H3
InChIKeyQOFPXYXEGUWZOB-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.21
Rot. Bonds6

About 1-(benzenesulfonyl)-4-[(2,3-dimethoxyphenyl)methyl]piperazine

1-(benzenesulfonyl)-4-[(2,3-dimethoxyphenyl)methyl]piperazine (PubChem CID 1122436) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-[(2,3-dimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-[(2,3-dimethoxyphenyl)methyl]piperazine
PubChem CID1122436
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name1-(benzenesulfonyl)-4-[(2,3-dimethoxyphenyl)methyl]piperazine
SMILESCOc1cccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)c1OC
InChIInChI=1S/C19H24N2O4S/c1-24-18-10-6-7-16(19(18)25-2)15-20-11-13-21(14-12-20)26(22,23)17-8-4-3-5-9-17/h3-10H,11-15H2,1-2H3
InChIKeyQOFPXYXEGUWZOB-UHFFFAOYSA-N
XLogP2.21
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-[(2,3-dimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-(benzenesulfonyl)-4-[(2,3-dimethoxyphenyl)methyl]piperazine (CID 1122436) is 1-(benzenesulfonyl)-4-[(2,3-dimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-[(2,3-dimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-(benzenesulfonyl)-4-[(2,3-dimethoxyphenyl)methyl]piperazine is COc1cccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)c1OC.
What is the InChIKey of 1-(benzenesulfonyl)-4-[(2,3-dimethoxyphenyl)methyl]piperazine?
The InChIKey is QOFPXYXEGUWZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-24-18-10-6-7-16(19(18)25-2)15-20-11-13-21(14-12-20)26(22,23)17-8-4-3-5-9-17/h3-10H,11-15H2,1-2H3.
What are the key properties of 1-(benzenesulfonyl)-4-[(2,3-dimethoxyphenyl)methyl]piperazine?
1-(benzenesulfonyl)-4-[(2,3-dimethoxyphenyl)methyl]piperazine has a molecular weight of 376.48 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-[(2,3-dimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 1122436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).