(5-chloro-2-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone

C21H18ClFN2O3S — CID 27509415

IUPAC(5-chloro-2-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(c1cc(Cl)ccc1F)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C21H18ClFN2O3S/c22-17-6-8-20(23)19(14-17)21(26)24-9-11-25(12-10-24)29(27,28)18-7-5-15-3-1-2-4-16(15)13-18/h1-8,13-14H,9-12H2
InChIKeyICJMYCDTEVDHAA-UHFFFAOYSA-N
MW432.90 g/mol
LogP3.78
Rot. Bonds3

About (5-chloro-2-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone

(5-chloro-2-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 27509415) has the molecular formula C21H18ClFN2O3S and a molecular weight of 432.90 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
PubChem CID27509415
Molecular FormulaC21H18ClFN2O3S
Molecular Weight432.90 g/mol
Exact Mass432.07
IUPAC Name(5-chloro-2-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(c1cc(Cl)ccc1F)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C21H18ClFN2O3S/c22-17-6-8-20(23)19(14-17)21(26)24-9-11-25(12-10-24)29(27,28)18-7-5-15-3-1-2-4-16(15)13-18/h1-8,13-14H,9-12H2
InChIKeyICJMYCDTEVDHAA-UHFFFAOYSA-N
XLogP3.78
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.90
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-chloro-2-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone 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 (5-chloro-2-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (5-chloro-2-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone (CID 27509415) is (5-chloro-2-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (5-chloro-2-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone is O=C(c1cc(Cl)ccc1F)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of (5-chloro-2-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is ICJMYCDTEVDHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O3S/c22-17-6-8-20(23)19(14-17)21(26)24-9-11-25(12-10-24)29(27,28)18-7-5-15-3-1-2-4-16(15)13-18/h1-8,13-14H,9-12H2.
What are the key properties of (5-chloro-2-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
(5-chloro-2-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 432.90 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 27509415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).