1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylpiperazine

C11H14ClFN2O2S — CID 65448434

IUPAC1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylpiperazine
SMILESCC1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)CCN1
InChIInChI=1S/C11H14ClFN2O2S/c1-8-7-15(5-4-14-8)18(16,17)9-2-3-11(13)10(12)6-9/h2-3,6,8,14H,4-5,7H2,1H3
InChIKeyQGVLCXXUIRBSLH-UHFFFAOYSA-N
MW292.76 g/mol
LogP1.46
Rot. Bonds2

About 1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylpiperazine

1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylpiperazine (PubChem CID 65448434) has the molecular formula C11H14ClFN2O2S and a molecular weight of 292.76 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylpiperazine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylpiperazine
PubChem CID65448434
Molecular FormulaC11H14ClFN2O2S
Molecular Weight292.76 g/mol
Exact Mass292.04
IUPAC Name1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylpiperazine
SMILESCC1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)CCN1
InChIInChI=1S/C11H14ClFN2O2S/c1-8-7-15(5-4-14-8)18(16,17)9-2-3-11(13)10(12)6-9/h2-3,6,8,14H,4-5,7H2,1H3
InChIKeyQGVLCXXUIRBSLH-UHFFFAOYSA-N
XLogP1.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-chloro-4-fluorophenyl)sulfonyl-3-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-(3-chloro-4-fluorophenyl)sulfonyl-3,5-dimethylpiperazine
CID 63872347
1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperazine
CID 103829007
(3S)-1-(4-fluoro-3-nitrophenyl)sulfonyl-3-methylpiperazine
CID 104976522
(3S)-1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 120713062
1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperazine
CID 65448062
1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidine
CID 697831
(3S)-1-[(3-chloro-4-fluorophenyl)methylsulfonyl]-3-methylpiperazine;hydrochloride
CID 120875739
1-(3-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981991
1-(2,5-dichlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981931
4-(3-chloro-4-fluorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 2938439
1-(3-chloro-4-fluorophenyl)sulfonyl-1,4-diazepane
CID 43361733
1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine
CID 697773

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylpiperazine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylpiperazine (CID 65448434) is 1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylpiperazine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylpiperazine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylpiperazine is CC1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)CCN1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylpiperazine?
The InChIKey is QGVLCXXUIRBSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O2S/c1-8-7-15(5-4-14-8)18(16,17)9-2-3-11(13)10(12)6-9/h2-3,6,8,14H,4-5,7H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylpiperazine?
1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylpiperazine has a molecular weight of 292.76 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylpiperazine is sourced from PubChem (CID 65448434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).