2-(benzenesulfonamido)-N-(2,5-dimethoxyphenyl)benzamide

C21H20N2O5S — CID 4233924

IUPAC2-(benzenesulfonamido)-N-(2,5-dimethoxyphenyl)benzamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C21H20N2O5S/c1-27-15-12-13-20(28-2)19(14-15)22-21(24)17-10-6-7-11-18(17)23-29(25,26)16-8-4-3-5-9-16/h3-14,23H,1-2H3,(H,22,24)
InChIKeyNWNIVGGWOHHAQP-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.76
Rot. Bonds7

About 2-(benzenesulfonamido)-N-(2,5-dimethoxyphenyl)benzamide

2-(benzenesulfonamido)-N-(2,5-dimethoxyphenyl)benzamide (PubChem CID 4233924) has the molecular formula C21H20N2O5S and a molecular weight of 412.47 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-(2,5-dimethoxyphenyl)benzamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-(2,5-dimethoxyphenyl)benzamide
PubChem CID4233924
Molecular FormulaC21H20N2O5S
Molecular Weight412.47 g/mol
Exact Mass412.11
IUPAC Name2-(benzenesulfonamido)-N-(2,5-dimethoxyphenyl)benzamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C21H20N2O5S/c1-27-15-12-13-20(28-2)19(14-15)22-21(24)17-10-6-7-11-18(17)23-29(25,26)16-8-4-3-5-9-16/h3-14,23H,1-2H3,(H,22,24)
InChIKeyNWNIVGGWOHHAQP-UHFFFAOYSA-N
XLogP3.76
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 1289212
2-(benzenesulfonamido)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126414109
2-[(3,4-difluorophenyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide
CID 2374439
2-chloro-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892982
2-[(4-carbamoylphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide
CID 18100692
2-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]benzoic acid
CID 1348361
2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide
CID 2683748
2-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)benzamide
CID 18229347
2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 71903202
N-(2,4-dimethoxyphenyl)-2-(propan-2-ylsulfonylamino)benzamide
CID 71346631
2-(benzenesulfonamido)-N-(4-phenoxyphenyl)benzamide
CID 3900171
N-(2,5-dimethoxyphenyl)-2-methylsulfanylbenzamide
CID 966884

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-(2,5-dimethoxyphenyl)benzamide?
The IUPAC name of 2-(benzenesulfonamido)-N-(2,5-dimethoxyphenyl)benzamide (CID 4233924) is 2-(benzenesulfonamido)-N-(2,5-dimethoxyphenyl)benzamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-(2,5-dimethoxyphenyl)benzamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-(2,5-dimethoxyphenyl)benzamide is COc1ccc(OC)c(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-(benzenesulfonamido)-N-(2,5-dimethoxyphenyl)benzamide?
The InChIKey is NWNIVGGWOHHAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5S/c1-27-15-12-13-20(28-2)19(14-15)22-21(24)17-10-6-7-11-18(17)23-29(25,26)16-8-4-3-5-9-16/h3-14,23H,1-2H3,(H,22,24).
What are the key properties of 2-(benzenesulfonamido)-N-(2,5-dimethoxyphenyl)benzamide?
2-(benzenesulfonamido)-N-(2,5-dimethoxyphenyl)benzamide has a molecular weight of 412.47 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-(2,5-dimethoxyphenyl)benzamide is sourced from PubChem (CID 4233924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).