1-(Benzenesulfonyl)-4-methyl-2-phenylpiperazine

C17H20N2O2S — CID 16317268

IUPAC1-(benzenesulfonyl)-4-methyl-2-phenylpiperazine
SMILESCN1CCN(C(C1)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3
InChIInChI=1S/C17H20N2O2S/c1-18-12-13-19(17(14-18)15-8-4-2-5-9-15)22(20,21)16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3
InChIKeyBNBLLJXSSOBSBI-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.40
Rot. Bonds3

About 1-(Benzenesulfonyl)-4-methyl-2-phenylpiperazine

1-(Benzenesulfonyl)-4-methyl-2-phenylpiperazine (PubChem CID 16317268) has the molecular formula C17H20N2O2S and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-methyl-2-phenylpiperazine.

Molecular Properties

Compound Name1-(Benzenesulfonyl)-4-methyl-2-phenylpiperazine
PubChem CID16317268
Molecular FormulaC17H20N2O2S
Molecular Weight316.40 g/mol
Exact Mass316.12
IUPAC Name1-(benzenesulfonyl)-4-methyl-2-phenylpiperazine
SMILESCN1CCN(C(C1)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3
InChIInChI=1S/C17H20N2O2S/c1-18-12-13-19(17(14-18)15-8-4-2-5-9-15)22(20,21)16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3
InChIKeyBNBLLJXSSOBSBI-UHFFFAOYSA-N
XLogP2.40
TPSA49.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity448

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(Benzenesulfonyl)-4-methyl-2-phenylpiperazine?
The IUPAC name of 1-(Benzenesulfonyl)-4-methyl-2-phenylpiperazine (CID 16317268) is 1-(benzenesulfonyl)-4-methyl-2-phenylpiperazine.
What is the SMILES notation for 1-(Benzenesulfonyl)-4-methyl-2-phenylpiperazine?
The canonical SMILES for 1-(Benzenesulfonyl)-4-methyl-2-phenylpiperazine is CN1CCN(C(C1)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3.
What is the InChIKey of 1-(Benzenesulfonyl)-4-methyl-2-phenylpiperazine?
The InChIKey is BNBLLJXSSOBSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-18-12-13-19(17(14-18)15-8-4-2-5-9-15)22(20,21)16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3.
What are the key properties of 1-(Benzenesulfonyl)-4-methyl-2-phenylpiperazine?
1-(Benzenesulfonyl)-4-methyl-2-phenylpiperazine has a molecular weight of 316.40 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(Benzenesulfonyl)-4-methyl-2-phenylpiperazine is sourced from PubChem (CID 16317268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).