1-(6-ethoxynaphthalen-2-yl)sulfonyl-4-(2-fluorophenyl)piperazine

C22H23FN2O3S — CID 1041679

IUPAC1-(6-ethoxynaphthalen-2-yl)sulfonyl-4-(2-fluorophenyl)piperazine
SMILESCCOc1ccc2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)ccc2c1
InChIInChI=1S/C22H23FN2O3S/c1-2-28-19-9-7-18-16-20(10-8-17(18)15-19)29(26,27)25-13-11-24(12-14-25)22-6-4-3-5-21(22)23/h3-10,15-16H,2,11-14H2,1H3
InChIKeyDVZMGFDQUGBQNO-UHFFFAOYSA-N
MW414.50 g/mol
LogP3.89
Rot. Bonds5

About 1-(6-ethoxynaphthalen-2-yl)sulfonyl-4-(2-fluorophenyl)piperazine

1-(6-ethoxynaphthalen-2-yl)sulfonyl-4-(2-fluorophenyl)piperazine (PubChem CID 1041679) has the molecular formula C22H23FN2O3S and a molecular weight of 414.50 g/mol. Its IUPAC name is 1-(6-ethoxynaphthalen-2-yl)sulfonyl-4-(2-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-(6-ethoxynaphthalen-2-yl)sulfonyl-4-(2-fluorophenyl)piperazine
PubChem CID1041679
Molecular FormulaC22H23FN2O3S
Molecular Weight414.50 g/mol
Exact Mass414.14
IUPAC Name1-(6-ethoxynaphthalen-2-yl)sulfonyl-4-(2-fluorophenyl)piperazine
SMILESCCOc1ccc2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)ccc2c1
InChIInChI=1S/C22H23FN2O3S/c1-2-28-19-9-7-18-16-20(10-8-17(18)15-19)29(26,27)25-13-11-24(12-14-25)22-6-4-3-5-21(22)23/h3-10,15-16H,2,11-14H2,1H3
InChIKeyDVZMGFDQUGBQNO-UHFFFAOYSA-N
XLogP3.89
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(6-ethoxynaphthalen-2-yl)sulfonyl-4-(2-fluorophenyl)piperazine with MolForge

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

Launch Full Analysis

Related Compounds

1-benzhydryl-4-(6-ethoxynaphthalen-2-yl)sulfonylpiperazine
CID 2868886
1-(2-fluorophenyl)-4-(4-propan-2-yloxyphenyl)sulfonylpiperazine
CID 113076622
1-(4-ethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1098869
6-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylchromen-2-one
CID 2987419
1-(2-chlorophenyl)-4-(3,4-diethoxyphenyl)sulfonylpiperazine
CID 9030930
(4-ethoxyphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2673957
1-(2-fluorophenyl)-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine
CID 1334438
1-(6-ethoxynaphthalen-2-yl)sulfonylpiperidine-4-carboxamide
CID 25252531
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 7921506
1-(4-butoxy-3-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine
CID 100671557
(3-ethoxyphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 52693720
4-ethoxy-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16825823

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxynaphthalen-2-yl)sulfonyl-4-(2-fluorophenyl)piperazine?
The IUPAC name of 1-(6-ethoxynaphthalen-2-yl)sulfonyl-4-(2-fluorophenyl)piperazine (CID 1041679) is 1-(6-ethoxynaphthalen-2-yl)sulfonyl-4-(2-fluorophenyl)piperazine.
What is the SMILES notation for 1-(6-ethoxynaphthalen-2-yl)sulfonyl-4-(2-fluorophenyl)piperazine?
The canonical SMILES for 1-(6-ethoxynaphthalen-2-yl)sulfonyl-4-(2-fluorophenyl)piperazine is CCOc1ccc2cc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)ccc2c1.
What is the InChIKey of 1-(6-ethoxynaphthalen-2-yl)sulfonyl-4-(2-fluorophenyl)piperazine?
The InChIKey is DVZMGFDQUGBQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O3S/c1-2-28-19-9-7-18-16-20(10-8-17(18)15-19)29(26,27)25-13-11-24(12-14-25)22-6-4-3-5-21(22)23/h3-10,15-16H,2,11-14H2,1H3.
What are the key properties of 1-(6-ethoxynaphthalen-2-yl)sulfonyl-4-(2-fluorophenyl)piperazine?
1-(6-ethoxynaphthalen-2-yl)sulfonyl-4-(2-fluorophenyl)piperazine has a molecular weight of 414.50 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxynaphthalen-2-yl)sulfonyl-4-(2-fluorophenyl)piperazine is sourced from PubChem (CID 1041679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).