N-(4-methoxyphenyl)-2-[(3-sulfamoylphenyl)sulfonylamino]benzamide

C20H19N3O6S2 — CID 30286393

IUPACN-(4-methoxyphenyl)-2-[(3-sulfamoylphenyl)sulfonylamino]benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C20H19N3O6S2/c1-29-15-11-9-14(10-12-15)22-20(24)18-7-2-3-8-19(18)23-31(27,28)17-6-4-5-16(13-17)30(21,25)26/h2-13,23H,1H3,(H,22,24)(H2,21,25,26)
InChIKeyBNJMAFHWLSIOFX-UHFFFAOYSA-N
MW461.52 g/mol
LogP2.40
Rot. Bonds7

About N-(4-methoxyphenyl)-2-[(3-sulfamoylphenyl)sulfonylamino]benzamide

N-(4-methoxyphenyl)-2-[(3-sulfamoylphenyl)sulfonylamino]benzamide (PubChem CID 30286393) has the molecular formula C20H19N3O6S2 and a molecular weight of 461.52 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(3-sulfamoylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[(3-sulfamoylphenyl)sulfonylamino]benzamide
PubChem CID30286393
Molecular FormulaC20H19N3O6S2
Molecular Weight461.52 g/mol
Exact Mass461.07
IUPAC NameN-(4-methoxyphenyl)-2-[(3-sulfamoylphenyl)sulfonylamino]benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C20H19N3O6S2/c1-29-15-11-9-14(10-12-15)22-20(24)18-7-2-3-8-19(18)23-31(27,28)17-6-4-5-16(13-17)30(21,25)26/h2-13,23H,1H3,(H,22,24)(H2,21,25,26)
InChIKeyBNJMAFHWLSIOFX-UHFFFAOYSA-N
XLogP2.40
TPSA144.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzenesulfonamido)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126414109
2-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)benzamide
CID 18229347
2-[(2,6-difluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)benzamide
CID 29425469
2-(benzenesulfonamido)-N-(4-phenoxyphenyl)benzamide
CID 3900171
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-methoxyphenyl)benzamide
CID 24510031
2-[(4-chlorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)benzamide
CID 44898447
2-(benzenesulfonamido)-N-(2,5-dimethoxyphenyl)benzamide
CID 4233924
N-[4-methoxy-3-[(3-sulfamoylphenyl)sulfonylamino]phenyl]acetamide
CID 30286465
2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 71903202
2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 1226628
2-[(4-methoxyphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 7541926
N-(3,5-dimethylphenyl)-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
CID 46102118

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[(3-sulfamoylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[(3-sulfamoylphenyl)sulfonylamino]benzamide (CID 30286393) is N-(4-methoxyphenyl)-2-[(3-sulfamoylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[(3-sulfamoylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[(3-sulfamoylphenyl)sulfonylamino]benzamide is COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[(3-sulfamoylphenyl)sulfonylamino]benzamide?
The InChIKey is BNJMAFHWLSIOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O6S2/c1-29-15-11-9-14(10-12-15)22-20(24)18-7-2-3-8-19(18)23-31(27,28)17-6-4-5-16(13-17)30(21,25)26/h2-13,23H,1H3,(H,22,24)(H2,21,25,26).
What are the key properties of N-(4-methoxyphenyl)-2-[(3-sulfamoylphenyl)sulfonylamino]benzamide?
N-(4-methoxyphenyl)-2-[(3-sulfamoylphenyl)sulfonylamino]benzamide has a molecular weight of 461.52 g/mol, XLogP of 2.40, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[(3-sulfamoylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 30286393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).