1-(2,3-dihydro-1H-inden-2-yl)-4-(4-methoxyphenyl)sulfonylpiperazine

C20H24N2O3S — CID 1151847

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-4-(4-methoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(C3Cc4ccccc4C3)CC2)cc1
InChIInChI=1S/C20H24N2O3S/c1-25-19-6-8-20(9-7-19)26(23,24)22-12-10-21(11-13-22)18-14-16-4-2-3-5-17(16)15-18/h2-9,18H,10-15H2,1H3
InChIKeyANOXYTRJTLBXIE-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.17
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-2-yl)-4-(4-methoxyphenyl)sulfonylpiperazine

1-(2,3-dihydro-1H-inden-2-yl)-4-(4-methoxyphenyl)sulfonylpiperazine (PubChem CID 1151847) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-4-(4-methoxyphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-4-(4-methoxyphenyl)sulfonylpiperazine
PubChem CID1151847
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-4-(4-methoxyphenyl)sulfonylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCN(C3Cc4ccccc4C3)CC2)cc1
InChIInChI=1S/C20H24N2O3S/c1-25-19-6-8-20(9-7-19)26(23,24)22-12-10-21(11-13-22)18-14-16-4-2-3-5-17(16)15-18/h2-9,18H,10-15H2,1H3
InChIKeyANOXYTRJTLBXIE-UHFFFAOYSA-N
XLogP2.17
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dihydro-1H-inden-2-yl)-4-(4-methoxyphenyl)sulfonylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-4-(4-methoxyphenyl)sulfonylpiperazine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-4-(4-methoxyphenyl)sulfonylpiperazine (CID 1151847) is 1-(2,3-dihydro-1H-inden-2-yl)-4-(4-methoxyphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-4-(4-methoxyphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-4-(4-methoxyphenyl)sulfonylpiperazine is COc1ccc(S(=O)(=O)N2CCN(C3Cc4ccccc4C3)CC2)cc1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-4-(4-methoxyphenyl)sulfonylpiperazine?
The InChIKey is ANOXYTRJTLBXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-25-19-6-8-20(9-7-19)26(23,24)22-12-10-21(11-13-22)18-14-16-4-2-3-5-17(16)15-18/h2-9,18H,10-15H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-4-(4-methoxyphenyl)sulfonylpiperazine?
1-(2,3-dihydro-1H-inden-2-yl)-4-(4-methoxyphenyl)sulfonylpiperazine has a molecular weight of 372.49 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-4-(4-methoxyphenyl)sulfonylpiperazine is sourced from PubChem (CID 1151847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).