1-(4-fluoro-3-methylphenyl)sulfonyl-4-methylpiperazine

C12H17FN2O2S — CID 43845541

IUPAC1-(4-fluoro-3-methylphenyl)sulfonyl-4-methylpiperazine
SMILESCc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1F
InChIInChI=1S/C12H17FN2O2S/c1-10-9-11(3-4-12(10)13)18(16,17)15-7-5-14(2)6-8-15/h3-4,9H,5-8H2,1-2H3
InChIKeyYSORXMDHBLNDGA-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.07
Rot. Bonds2

About 1-(4-fluoro-3-methylphenyl)sulfonyl-4-methylpiperazine

1-(4-fluoro-3-methylphenyl)sulfonyl-4-methylpiperazine (PubChem CID 43845541) has the molecular formula C12H17FN2O2S and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)sulfonyl-4-methylpiperazine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)sulfonyl-4-methylpiperazine
PubChem CID43845541
Molecular FormulaC12H17FN2O2S
Molecular Weight272.35 g/mol
Exact Mass272.10
IUPAC Name1-(4-fluoro-3-methylphenyl)sulfonyl-4-methylpiperazine
SMILESCc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1F
InChIInChI=1S/C12H17FN2O2S/c1-10-9-11(3-4-12(10)13)18(16,17)15-7-5-14(2)6-8-15/h3-4,9H,5-8H2,1-2H3
InChIKeyYSORXMDHBLNDGA-UHFFFAOYSA-N
XLogP1.07
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluoro-3-methylphenyl)sulfonyl-4-methylpiperazine 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-(4-chlorophenyl)-4-(4-fluoro-3-methylphenyl)sulfonylpiperazine
CID 113076680
2-fluoro-5-(4-methylpiperazin-1-yl)sulfonylbenzoic acid
CID 22012947
1-(4-fluoro-3-methylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 110868573
[2-fluoro-5-(4-methylpiperazin-1-yl)sulfonylphenyl]methanamine
CID 28716722
methyl 4-(4-fluoro-3-methylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818499
3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-N,N-dimethylpropan-1-amine
CID 113073853
4-fluoro-3-methyl-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 100696551
2-chloro-1-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 28705564
1-(4-fluoro-3-methylphenyl)sulfonyl-N,N,3-trimethylpyrrolidin-3-amine
CID 136574383
1-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978268
1-(4-fluoro-3-methylphenyl)sulfonyl-4-[(2R)-1-methoxypropan-2-yl]piperazine
CID 95635970
1-(4-fluoro-3-methylphenyl)sulfonyl-4-(4-nitrophenyl)piperazine
CID 112501974

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)sulfonyl-4-methylpiperazine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)sulfonyl-4-methylpiperazine (CID 43845541) is 1-(4-fluoro-3-methylphenyl)sulfonyl-4-methylpiperazine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)sulfonyl-4-methylpiperazine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)sulfonyl-4-methylpiperazine is Cc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)sulfonyl-4-methylpiperazine?
The InChIKey is YSORXMDHBLNDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c1-10-9-11(3-4-12(10)13)18(16,17)15-7-5-14(2)6-8-15/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)sulfonyl-4-methylpiperazine?
1-(4-fluoro-3-methylphenyl)sulfonyl-4-methylpiperazine has a molecular weight of 272.35 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)sulfonyl-4-methylpiperazine is sourced from PubChem (CID 43845541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).