3-(benzylsulfamoyl)-N-(2-fluoro-5-methylphenyl)-4-methylbenzamide

C22H21FN2O3S — CID 35623422

IUPAC3-(benzylsulfamoyl)-N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
SMILESCc1ccc(F)c(NC(=O)c2ccc(C)c(S(=O)(=O)NCc3ccccc3)c2)c1
InChIInChI=1S/C22H21FN2O3S/c1-15-8-11-19(23)20(12-15)25-22(26)18-10-9-16(2)21(13-18)29(27,28)24-14-17-6-4-3-5-7-17/h3-13,24H,14H2,1-2H3,(H,25,26)
InChIKeyUXAHDJPKECVFRO-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.17
Rot. Bonds6

About 3-(benzylsulfamoyl)-N-(2-fluoro-5-methylphenyl)-4-methylbenzamide

3-(benzylsulfamoyl)-N-(2-fluoro-5-methylphenyl)-4-methylbenzamide (PubChem CID 35623422) has the molecular formula C22H21FN2O3S and a molecular weight of 412.49 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-(2-fluoro-5-methylphenyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
PubChem CID35623422
Molecular FormulaC22H21FN2O3S
Molecular Weight412.49 g/mol
Exact Mass412.13
IUPAC Name3-(benzylsulfamoyl)-N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
SMILESCc1ccc(F)c(NC(=O)c2ccc(C)c(S(=O)(=O)NCc3ccccc3)c2)c1
InChIInChI=1S/C22H21FN2O3S/c1-15-8-11-19(23)20(12-15)25-22(26)18-10-9-16(2)21(13-18)29(27,28)24-14-17-6-4-3-5-7-17/h3-13,24H,14H2,1-2H3,(H,25,26)
InChIKeyUXAHDJPKECVFRO-UHFFFAOYSA-N
XLogP4.17
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-4-methylbenzamide
CID 32686463
3-(benzylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 60593033
3-(benzylsulfamoyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide
CID 32746652
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-fluorophenyl)-4-methylbenzamide
CID 126412201
4-fluoro-3-[(4-methylphenyl)methylsulfamoyl]-N-(4-phenoxyphenyl)benzamide
CID 3407821
4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]benzoic acid
CID 852333
4-methyl-N-(2-methylphenyl)-3-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 6462073
3-(benzylsulfamoyl)-4-methyl-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55617491
3-(benzylsulfamoyl)-N-(2,4-dimethylphenyl)benzamide
CID 9342801
3-[(4-chlorophenyl)methylsulfamoyl]-N-(2,4-dimethylphenyl)-4-methoxybenzamide
CID 51545347
N-(2-fluoro-5-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 28881843
N-benzyl-2-methyl-5-[(pyridine-3-carbonylamino)carbamoyl]benzenesulfonamide
CID 35016747

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-(2-fluoro-5-methylphenyl)-4-methylbenzamide?
The IUPAC name of 3-(benzylsulfamoyl)-N-(2-fluoro-5-methylphenyl)-4-methylbenzamide (CID 35623422) is 3-(benzylsulfamoyl)-N-(2-fluoro-5-methylphenyl)-4-methylbenzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-N-(2-fluoro-5-methylphenyl)-4-methylbenzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-N-(2-fluoro-5-methylphenyl)-4-methylbenzamide is Cc1ccc(F)c(NC(=O)c2ccc(C)c(S(=O)(=O)NCc3ccccc3)c2)c1.
What is the InChIKey of 3-(benzylsulfamoyl)-N-(2-fluoro-5-methylphenyl)-4-methylbenzamide?
The InChIKey is UXAHDJPKECVFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3S/c1-15-8-11-19(23)20(12-15)25-22(26)18-10-9-16(2)21(13-18)29(27,28)24-14-17-6-4-3-5-7-17/h3-13,24H,14H2,1-2H3,(H,25,26).
What are the key properties of 3-(benzylsulfamoyl)-N-(2-fluoro-5-methylphenyl)-4-methylbenzamide?
3-(benzylsulfamoyl)-N-(2-fluoro-5-methylphenyl)-4-methylbenzamide has a molecular weight of 412.49 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-N-(2-fluoro-5-methylphenyl)-4-methylbenzamide is sourced from PubChem (CID 35623422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).