3,4-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide

C21H18F2N2O4S — CID 30451320

IUPAC3,4-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(F)c(F)c3)ccc2C)cc1
InChIInChI=1S/C21H18F2N2O4S/c1-13-3-5-16(24-21(26)14-4-10-18(22)19(23)11-14)12-20(13)30(27,28)25-15-6-8-17(29-2)9-7-15/h3-12,25H,1-2H3,(H,24,26)
InChIKeyGRACTGZJCXSPED-UHFFFAOYSA-N
MW432.45 g/mol
LogP4.33
Rot. Bonds6

About 3,4-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide

3,4-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide (PubChem CID 30451320) has the molecular formula C21H18F2N2O4S and a molecular weight of 432.45 g/mol. Its IUPAC name is 3,4-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
PubChem CID30451320
Molecular FormulaC21H18F2N2O4S
Molecular Weight432.45 g/mol
Exact Mass432.10
IUPAC Name3,4-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(F)c(F)c3)ccc2C)cc1
InChIInChI=1S/C21H18F2N2O4S/c1-13-3-5-16(24-21(26)14-4-10-18(22)19(23)11-14)12-20(13)30(27,28)25-15-6-8-17(29-2)9-7-15/h3-12,25H,1-2H3,(H,24,26)
InChIKeyGRACTGZJCXSPED-UHFFFAOYSA-N
XLogP4.33
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 1039728
N-(2-fluorophenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 9413965
6-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyridine-3-carboxamide
CID 26642328
N-(3-fluoro-5-sulfamoylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 55979786
4-methoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-nitrobenzamide
CID 71904035
N-(3,4-dimethylphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26593901
N-(3-methoxyphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 1289257
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)benzamide
CID 17391179
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylthiophene-2-carboxamide
CID 35743328
3-chloro-4,5-dimethoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 26642074
3-(2-amino-2-oxoethoxy)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 35557182
2-(2-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
CID 35155544

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide (CID 30451320) is 3,4-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide is COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(F)c(F)c3)ccc2C)cc1.
What is the InChIKey of 3,4-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide?
The InChIKey is GRACTGZJCXSPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O4S/c1-13-3-5-16(24-21(26)14-4-10-18(22)19(23)11-14)12-20(13)30(27,28)25-15-6-8-17(29-2)9-7-15/h3-12,25H,1-2H3,(H,24,26).
What are the key properties of 3,4-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide?
3,4-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide has a molecular weight of 432.45 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide is sourced from PubChem (CID 30451320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).