N-(3-fluoro-5-sulfamoylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide

C21H20FN3O6S2 — CID 55979786

IUPACN-(3-fluoro-5-sulfamoylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(F)cc(S(N)(=O)=O)c3)ccc2C)cc1
InChIInChI=1S/C21H20FN3O6S2/c1-13-3-4-14(21(26)24-17-10-15(22)11-19(12-17)32(23,27)28)9-20(13)33(29,30)25-16-5-7-18(31-2)8-6-16/h3-12,25H,1-2H3,(H,24,26)(H2,23,27,28)
InChIKeyXTYQCKKYYLABIR-UHFFFAOYSA-N
MW493.54 g/mol
LogP2.84
Rot. Bonds7

About N-(3-fluoro-5-sulfamoylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide

N-(3-fluoro-5-sulfamoylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide (PubChem CID 55979786) has the molecular formula C21H20FN3O6S2 and a molecular weight of 493.54 g/mol. Its IUPAC name is N-(3-fluoro-5-sulfamoylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-(3-fluoro-5-sulfamoylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
PubChem CID55979786
Molecular FormulaC21H20FN3O6S2
Molecular Weight493.54 g/mol
Exact Mass493.08
IUPAC NameN-(3-fluoro-5-sulfamoylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(F)cc(S(N)(=O)=O)c3)ccc2C)cc1
InChIInChI=1S/C21H20FN3O6S2/c1-13-3-4-14(21(26)24-17-10-15(22)11-19(12-17)32(23,27)28)9-20(13)33(29,30)25-16-5-7-18(31-2)8-6-16/h3-12,25H,1-2H3,(H,24,26)(H2,23,27,28)
InChIKeyXTYQCKKYYLABIR-UHFFFAOYSA-N
XLogP2.84
TPSA144.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.54
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(3-fluoro-5-sulfamoylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide 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

3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 1039728
3,4-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 30451320
N-(2-fluorophenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 9413965
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-3-[(4-fluorophenyl)sulfamoyl]-N-(4-methoxyphenyl)benzamide
CID 27228973
N-[6-(dimethylamino)-3-pyridinyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 30295696
N-(3,4-dimethylphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26593901
N-(3-methoxyphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 1289257
N-(4-fluorophenyl)-4-methyl-3-sulfamoylbenzamide
CID 9070427
4-chloro-N-(3,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24537222
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 55370357

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-sulfamoylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
The IUPAC name of N-(3-fluoro-5-sulfamoylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide (CID 55979786) is N-(3-fluoro-5-sulfamoylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide.
What is the SMILES notation for N-(3-fluoro-5-sulfamoylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
The canonical SMILES for N-(3-fluoro-5-sulfamoylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide is COc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(F)cc(S(N)(=O)=O)c3)ccc2C)cc1.
What is the InChIKey of N-(3-fluoro-5-sulfamoylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
The InChIKey is XTYQCKKYYLABIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O6S2/c1-13-3-4-14(21(26)24-17-10-15(22)11-19(12-17)32(23,27)28)9-20(13)33(29,30)25-16-5-7-18(31-2)8-6-16/h3-12,25H,1-2H3,(H,24,26)(H2,23,27,28).
What are the key properties of N-(3-fluoro-5-sulfamoylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
N-(3-fluoro-5-sulfamoylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide has a molecular weight of 493.54 g/mol, XLogP of 2.84, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-sulfamoylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide is sourced from PubChem (CID 55979786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).