4-[(2-fluorophenyl)sulfamoyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide

C25H27FN4O3S — CID 4787079

IUPAC4-[(2-fluorophenyl)sulfamoyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C25H27FN4O3S/c1-18-17-20(30-15-13-29(2)14-16-30)9-12-23(18)27-25(31)19-7-10-21(11-8-19)34(32,33)28-24-6-4-3-5-22(24)26/h3-12,17,28H,13-16H2,1-2H3,(H,27,31)
InChIKeyZYWUUMHYOQPMOZ-UHFFFAOYSA-N
MW482.58 g/mol
LogP3.94
Rot. Bonds6

About 4-[(2-fluorophenyl)sulfamoyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide

4-[(2-fluorophenyl)sulfamoyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide (PubChem CID 4787079) has the molecular formula C25H27FN4O3S and a molecular weight of 482.58 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)sulfamoyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-[(2-fluorophenyl)sulfamoyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
PubChem CID4787079
Molecular FormulaC25H27FN4O3S
Molecular Weight482.58 g/mol
Exact Mass482.18
IUPAC Name4-[(2-fluorophenyl)sulfamoyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C25H27FN4O3S/c1-18-17-20(30-15-13-29(2)14-16-30)9-12-23(18)27-25(31)19-7-10-21(11-8-19)34(32,33)28-24-6-4-3-5-22(24)26/h3-12,17,28H,13-16H2,1-2H3,(H,27,31)
InChIKeyZYWUUMHYOQPMOZ-UHFFFAOYSA-N
XLogP3.94
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 18158969
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methyl-4-morpholin-4-ylphenyl)benzamide
CID 37317926
4-[(2-fluorophenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 4785273
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-9-oxofluorene-2-carboxamide
CID 24624504
4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-fluorophenyl)benzamide
CID 109061758
2-(2-fluorophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 8025203
N-(2-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9342166
N-(2-fluorophenyl)-4-pyrrolidin-1-ylbenzenesulfonamide
CID 168514445
N-(4-fluoro-2-methylphenyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 7980566
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(propylsulfamoyl)benzamide
CID 26711987
4-(benzenesulfonamido)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 53279951
4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42157583

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)sulfamoyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 4-[(2-fluorophenyl)sulfamoyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide (CID 4787079) is 4-[(2-fluorophenyl)sulfamoyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-[(2-fluorophenyl)sulfamoyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 4-[(2-fluorophenyl)sulfamoyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide is Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1.
What is the InChIKey of 4-[(2-fluorophenyl)sulfamoyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is ZYWUUMHYOQPMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O3S/c1-18-17-20(30-15-13-29(2)14-16-30)9-12-23(18)27-25(31)19-7-10-21(11-8-19)34(32,33)28-24-6-4-3-5-22(24)26/h3-12,17,28H,13-16H2,1-2H3,(H,27,31).
What are the key properties of 4-[(2-fluorophenyl)sulfamoyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide?
4-[(2-fluorophenyl)sulfamoyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 482.58 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)sulfamoyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 4787079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).