2-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]ethanesulfonamide

C19H24FN3O2S — CID 110296986

IUPAC2-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]ethanesulfonamide
SMILESCN1CCN(c2ccc(NS(=O)(=O)CCc3ccccc3F)cc2)CC1
InChIInChI=1S/C19H24FN3O2S/c1-22-11-13-23(14-12-22)18-8-6-17(7-9-18)21-26(24,25)15-10-16-4-2-3-5-19(16)20/h2-9,21H,10-15H2,1H3
InChIKeyPINOCSJINZKZIP-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.56
Rot. Bonds6

About 2-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]ethanesulfonamide

2-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]ethanesulfonamide (PubChem CID 110296986) has the molecular formula C19H24FN3O2S and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]ethanesulfonamide
PubChem CID110296986
Molecular FormulaC19H24FN3O2S
Molecular Weight377.49 g/mol
Exact Mass377.16
IUPAC Name2-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]ethanesulfonamide
SMILESCN1CCN(c2ccc(NS(=O)(=O)CCc3ccccc3F)cc2)CC1
InChIInChI=1S/C19H24FN3O2S/c1-22-11-13-23(14-12-22)18-8-6-17(7-9-18)21-26(24,25)15-10-16-4-2-3-5-19(16)20/h2-9,21H,10-15H2,1H3
InChIKeyPINOCSJINZKZIP-UHFFFAOYSA-N
XLogP2.56
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]ethanesulfonamide 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-(2-chloro-6-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]methanesulfonamide
CID 99971656
2-(2-fluorophenyl)-N-(2-methoxy-5-morpholin-4-ylphenyl)ethanesulfonamide
CID 110357313
1-[4-(dimethylsulfamoylamino)phenyl]-4-methylpiperazine
CID 110756624
N'-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide
CID 108954773
1-(2-methylphenyl)-N-[4-(4-propylpiperazin-1-yl)phenyl]methanesulfonamide
CID 112502667
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propane-1-sulfonamide
CID 112984531
N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(2-fluorophenyl)propanamide
CID 17400855
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methoxyethanesulfonamide
CID 110615144
4-N-[(2-fluorophenyl)methyl]-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 112891199
2-(2-fluorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 7491916
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 53283554
1-(4-ethyl-3-fluorophenyl)-4-methylpiperazine
CID 70652464

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]ethanesulfonamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]ethanesulfonamide (CID 110296986) is 2-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]ethanesulfonamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]ethanesulfonamide is CN1CCN(c2ccc(NS(=O)(=O)CCc3ccccc3F)cc2)CC1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]ethanesulfonamide?
The InChIKey is PINOCSJINZKZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2S/c1-22-11-13-23(14-12-22)18-8-6-17(7-9-18)21-26(24,25)15-10-16-4-2-3-5-19(16)20/h2-9,21H,10-15H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]ethanesulfonamide?
2-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]ethanesulfonamide has a molecular weight of 377.49 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 110296986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).