N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide

C19H22F3N3O3S — CID 4796545

IUPACN-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCc1cc(N2CCN(C)CC2)ccc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H22F3N3O3S/c1-14-13-15(25-11-9-24(2)10-12-25)3-8-18(14)23-29(26,27)17-6-4-16(5-7-17)28-19(20,21)22/h3-8,13,23H,9-12H2,1-2H3
InChIKeyHSTREBQWEJPDPW-UHFFFAOYSA-N
MW429.46 g/mol
LogP3.45
Rot. Bonds5

About N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 4796545) has the molecular formula C19H22F3N3O3S and a molecular weight of 429.46 g/mol. Its IUPAC name is N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID4796545
Molecular FormulaC19H22F3N3O3S
Molecular Weight429.46 g/mol
Exact Mass429.13
IUPAC NameN-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCc1cc(N2CCN(C)CC2)ccc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H22F3N3O3S/c1-14-13-15(25-11-9-24(2)10-12-25)3-8-18(14)23-29(26,27)17-6-4-16(5-7-17)28-19(20,21)22/h3-8,13,23H,9-12H2,1-2H3
InChIKeyHSTREBQWEJPDPW-UHFFFAOYSA-N
XLogP3.45
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide 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

N-(4-iodo-2-methylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 5092333
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 18180114
4-[(2-fluorophenyl)sulfamoyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 4787079
2-[(4-chlorophenyl)sulfonylamino]-5-(4-methylpiperazin-1-yl)benzoic acid;2,2,2-trifluoroacetic acid
CID 146057692
2-[(3,4-dimethylphenyl)sulfonylamino]-5-(4-methylpiperazin-1-yl)benzoic acid
CID 50780938
N-(2,4,5-trichlorophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154276
N-(2-fluoro-4-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3807348
4-(trifluoromethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3346091
4-methyl-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 110361741
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90595606
4-methoxy-N-(2-methyl-4-pyrrolidin-1-ylphenyl)-3-nitrobenzenesulfonamide
CID 26966142
N-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]acetamide
CID 59454307

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 4796545) is N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide is Cc1cc(N2CCN(C)CC2)ccc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is HSTREBQWEJPDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O3S/c1-14-13-15(25-11-9-24(2)10-12-25)3-8-18(14)23-29(26,27)17-6-4-16(5-7-17)28-19(20,21)22/h3-8,13,23H,9-12H2,1-2H3.
What are the key properties of N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 429.46 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 4796545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).