2-(4-fluoro-2-methylsulfonylphenyl)piperazine-1-carboxamide

C12H16FN3O3S — CID 142032544

IUPAC2-(4-fluoro-2-methylsulfonylphenyl)piperazine-1-carboxamide
SMILESCS(=O)(=O)c1cc(F)ccc1C1CNCCN1C(N)=O
InChIInChI=1S/C12H16FN3O3S/c1-20(18,19)11-6-8(13)2-3-9(11)10-7-15-4-5-16(10)12(14)17/h2-3,6,10,15H,4-5,7H2,1H3,(H2,14,17)
InChIKeyDTWAQPSABGGWHH-UHFFFAOYSA-N
MW301.34 g/mol
LogP0.25
Rot. Bonds2

About 2-(4-fluoro-2-methylsulfonylphenyl)piperazine-1-carboxamide

2-(4-fluoro-2-methylsulfonylphenyl)piperazine-1-carboxamide (PubChem CID 142032544) has the molecular formula C12H16FN3O3S and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylsulfonylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name2-(4-fluoro-2-methylsulfonylphenyl)piperazine-1-carboxamide
PubChem CID142032544
Molecular FormulaC12H16FN3O3S
Molecular Weight301.34 g/mol
Exact Mass301.09
IUPAC Name2-(4-fluoro-2-methylsulfonylphenyl)piperazine-1-carboxamide
SMILESCS(=O)(=O)c1cc(F)ccc1C1CNCCN1C(N)=O
InChIInChI=1S/C12H16FN3O3S/c1-20(18,19)11-6-8(13)2-3-9(11)10-7-15-4-5-16(10)12(14)17/h2-3,6,10,15H,4-5,7H2,1H3,(H2,14,17)
InChIKeyDTWAQPSABGGWHH-UHFFFAOYSA-N
XLogP0.25
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluoro-2-methylsulfonylphenyl)piperazine-1-carboxamide 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 2-(4-fluoro-2-methylsulfonylphenyl)piperazine-1-carboxamide?
The IUPAC name of 2-(4-fluoro-2-methylsulfonylphenyl)piperazine-1-carboxamide (CID 142032544) is 2-(4-fluoro-2-methylsulfonylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 2-(4-fluoro-2-methylsulfonylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 2-(4-fluoro-2-methylsulfonylphenyl)piperazine-1-carboxamide is CS(=O)(=O)c1cc(F)ccc1C1CNCCN1C(N)=O.
What is the InChIKey of 2-(4-fluoro-2-methylsulfonylphenyl)piperazine-1-carboxamide?
The InChIKey is DTWAQPSABGGWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O3S/c1-20(18,19)11-6-8(13)2-3-9(11)10-7-15-4-5-16(10)12(14)17/h2-3,6,10,15H,4-5,7H2,1H3,(H2,14,17).
What are the key properties of 2-(4-fluoro-2-methylsulfonylphenyl)piperazine-1-carboxamide?
2-(4-fluoro-2-methylsulfonylphenyl)piperazine-1-carboxamide has a molecular weight of 301.34 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylsulfonylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 142032544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).