N-(2-fluorophenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide

C21H19FN2O4S — CID 9413965

IUPACN-(2-fluorophenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3F)ccc2C)cc1
InChIInChI=1S/C21H19FN2O4S/c1-14-7-8-15(21(25)23-19-6-4-3-5-18(19)22)13-20(14)29(26,27)24-16-9-11-17(28-2)12-10-16/h3-13,24H,1-2H3,(H,23,25)
InChIKeyLRYJCBVXUJVXMD-UHFFFAOYSA-N
MW414.46 g/mol
LogP4.20
Rot. Bonds6

About N-(2-fluorophenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide

N-(2-fluorophenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide (PubChem CID 9413965) has the molecular formula C21H19FN2O4S and a molecular weight of 414.46 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
PubChem CID9413965
Molecular FormulaC21H19FN2O4S
Molecular Weight414.46 g/mol
Exact Mass414.10
IUPAC NameN-(2-fluorophenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3F)ccc2C)cc1
InChIInChI=1S/C21H19FN2O4S/c1-14-7-8-15(21(25)23-19-6-4-3-5-18(19)22)13-20(14)29(26,27)24-16-9-11-17(28-2)12-10-16/h3-13,24H,1-2H3,(H,23,25)
InChIKeyLRYJCBVXUJVXMD-UHFFFAOYSA-N
XLogP4.20
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 1039728
3,4-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 30451320
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-fluorophenyl)-4-methylbenzamide
CID 126412201
N-(3-methoxyphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 1289257
N-(3-fluoro-5-sulfamoylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 55979786
2-(2-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
CID 35155544
N-[2-(ethylamino)ethyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 119507136
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2634660
3-[(2,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 126415722
4-chloro-N-(2-fluorophenyl)-3-(phenylsulfamoyl)benzamide
CID 126413264
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 24648300
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide
CID 99958629

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
The IUPAC name of N-(2-fluorophenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide (CID 9413965) is N-(2-fluorophenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
The canonical SMILES for N-(2-fluorophenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide is COc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3F)ccc2C)cc1.
What is the InChIKey of N-(2-fluorophenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
The InChIKey is LRYJCBVXUJVXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4S/c1-14-7-8-15(21(25)23-19-6-4-3-5-18(19)22)13-20(14)29(26,27)24-16-9-11-17(28-2)12-10-16/h3-13,24H,1-2H3,(H,23,25).
What are the key properties of N-(2-fluorophenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
N-(2-fluorophenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide has a molecular weight of 414.46 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide is sourced from PubChem (CID 9413965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).