N-[(4-fluorophenyl)methyl]-4-methyl-3-(phenylsulfamoyl)benzamide

C21H19FN2O3S — CID 46764508

IUPACN-[(4-fluorophenyl)methyl]-4-methyl-3-(phenylsulfamoyl)benzamide
SMILESCc1ccc(C(=O)NCc2ccc(F)cc2)cc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C21H19FN2O3S/c1-15-7-10-17(21(25)23-14-16-8-11-18(22)12-9-16)13-20(15)28(26,27)24-19-5-3-2-4-6-19/h2-13,24H,14H2,1H3,(H,23,25)
InChIKeyMQIJBPWRXJFDIU-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.86
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-4-methyl-3-(phenylsulfamoyl)benzamide

N-[(4-fluorophenyl)methyl]-4-methyl-3-(phenylsulfamoyl)benzamide (PubChem CID 46764508) has the molecular formula C21H19FN2O3S and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-methyl-3-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-methyl-3-(phenylsulfamoyl)benzamide
PubChem CID46764508
Molecular FormulaC21H19FN2O3S
Molecular Weight398.46 g/mol
Exact Mass398.11
IUPAC NameN-[(4-fluorophenyl)methyl]-4-methyl-3-(phenylsulfamoyl)benzamide
SMILESCc1ccc(C(=O)NCc2ccc(F)cc2)cc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C21H19FN2O3S/c1-15-7-10-17(21(25)23-14-16-8-11-18(22)12-9-16)13-20(15)28(26,27)24-19-5-3-2-4-6-19/h2-13,24H,14H2,1H3,(H,23,25)
InChIKeyMQIJBPWRXJFDIU-UHFFFAOYSA-N
XLogP3.86
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(4-fluorophenyl)methyl]-4-methyl-3-(phenylsulfamoyl)benzamide 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-benzyl-4-methyl-3-(phenylsulfamoyl)benzamide
CID 126384888
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide
CID 4238415
4-methyl-3-(phenylsulfamoyl)-N-propylbenzamide
CID 126412719
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2634660
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 126415658
4-chloro-N-[(4-methylphenyl)methyl]-3-(phenylsulfamoyl)benzamide
CID 126414386
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 26447378
N,4-dimethyl-3-(phenylsulfamoyl)benzamide
CID 3894784
4-(benzenesulfonamido)-N-[(4-fluorophenyl)methyl]-3-methylbenzamide
CID 30391889
N-(4-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 1022025
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide
CID 2232975
N-[(4-methoxyphenyl)methyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 2234266

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-methyl-3-(phenylsulfamoyl)benzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-methyl-3-(phenylsulfamoyl)benzamide (CID 46764508) is N-[(4-fluorophenyl)methyl]-4-methyl-3-(phenylsulfamoyl)benzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-methyl-3-(phenylsulfamoyl)benzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-methyl-3-(phenylsulfamoyl)benzamide is Cc1ccc(C(=O)NCc2ccc(F)cc2)cc1S(=O)(=O)Nc1ccccc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-methyl-3-(phenylsulfamoyl)benzamide?
The InChIKey is MQIJBPWRXJFDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3S/c1-15-7-10-17(21(25)23-14-16-8-11-18(22)12-9-16)13-20(15)28(26,27)24-19-5-3-2-4-6-19/h2-13,24H,14H2,1H3,(H,23,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-methyl-3-(phenylsulfamoyl)benzamide?
N-[(4-fluorophenyl)methyl]-4-methyl-3-(phenylsulfamoyl)benzamide has a molecular weight of 398.46 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-methyl-3-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 46764508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).