N-(4-fluorophenyl)-3-[(2-methylphenyl)methylsulfamoyl]benzamide

C21H19FN2O3S — CID 109064559

IUPACN-(4-fluorophenyl)-3-[(2-methylphenyl)methylsulfamoyl]benzamide
SMILESCc1ccccc1CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C21H19FN2O3S/c1-15-5-2-3-6-17(15)14-23-28(26,27)20-8-4-7-16(13-20)21(25)24-19-11-9-18(22)10-12-19/h2-13,23H,14H2,1H3,(H,24,25)
InChIKeyIHFLWYFJVDZFPO-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.86
Rot. Bonds6

About N-(4-fluorophenyl)-3-[(2-methylphenyl)methylsulfamoyl]benzamide

N-(4-fluorophenyl)-3-[(2-methylphenyl)methylsulfamoyl]benzamide (PubChem CID 109064559) has the molecular formula C21H19FN2O3S and a molecular weight of 398.46 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-[(2-methylphenyl)methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-[(2-methylphenyl)methylsulfamoyl]benzamide
PubChem CID109064559
Molecular FormulaC21H19FN2O3S
Molecular Weight398.46 g/mol
Exact Mass398.11
IUPAC NameN-(4-fluorophenyl)-3-[(2-methylphenyl)methylsulfamoyl]benzamide
SMILESCc1ccccc1CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C21H19FN2O3S/c1-15-5-2-3-6-17(15)14-23-28(26,27)20-8-4-7-16(13-20)21(25)24-19-11-9-18(22)10-12-19/h2-13,23H,14H2,1H3,(H,24,25)
InChIKeyIHFLWYFJVDZFPO-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

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Related Compounds

N-(4-fluorophenyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 27006401
N-(4-fluorophenyl)-3-[(4-iodophenyl)sulfamoyl]benzamide
CID 1337540
3-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide
CID 109065003
4-N-(4-fluorophenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046825
4-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide
CID 112982011
3-[(2-methylphenyl)methylsulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 109064542
2-fluoro-N-(4-fluorophenyl)-5-[(2-methoxyphenyl)methylsulfamoyl]benzamide
CID 4096626
N-[(2-methylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9429337
N-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9427533
3-[(2-methylphenyl)methylsulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 109064543
N-[(2-methylphenyl)methyl]-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063280
3-(furan-2-ylmethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 35612745

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-[(2-methylphenyl)methylsulfamoyl]benzamide?
The IUPAC name of N-(4-fluorophenyl)-3-[(2-methylphenyl)methylsulfamoyl]benzamide (CID 109064559) is N-(4-fluorophenyl)-3-[(2-methylphenyl)methylsulfamoyl]benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-[(2-methylphenyl)methylsulfamoyl]benzamide?
The canonical SMILES for N-(4-fluorophenyl)-3-[(2-methylphenyl)methylsulfamoyl]benzamide is Cc1ccccc1CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of N-(4-fluorophenyl)-3-[(2-methylphenyl)methylsulfamoyl]benzamide?
The InChIKey is IHFLWYFJVDZFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3S/c1-15-5-2-3-6-17(15)14-23-28(26,27)20-8-4-7-16(13-20)21(25)24-19-11-9-18(22)10-12-19/h2-13,23H,14H2,1H3,(H,24,25).
What are the key properties of N-(4-fluorophenyl)-3-[(2-methylphenyl)methylsulfamoyl]benzamide?
N-(4-fluorophenyl)-3-[(2-methylphenyl)methylsulfamoyl]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)-3-[(2-methylphenyl)methylsulfamoyl]benzamide is sourced from PubChem (CID 109064559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).