N-[4-(benzenesulfonamido)phenyl]-3,4-dimethoxybenzamide

C21H20N2O5S — CID 2140111

IUPACN-[4-(benzenesulfonamido)phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1OC
InChIInChI=1S/C21H20N2O5S/c1-27-19-13-8-15(14-20(19)28-2)21(24)22-16-9-11-17(12-10-16)23-29(25,26)18-6-4-3-5-7-18/h3-14,23H,1-2H3,(H,22,24)
InChIKeyHYONCVKRTHZIMN-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.76
Rot. Bonds7

About N-[4-(benzenesulfonamido)phenyl]-3,4-dimethoxybenzamide

N-[4-(benzenesulfonamido)phenyl]-3,4-dimethoxybenzamide (PubChem CID 2140111) has the molecular formula C21H20N2O5S and a molecular weight of 412.47 g/mol. Its IUPAC name is N-[4-(benzenesulfonamido)phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(benzenesulfonamido)phenyl]-3,4-dimethoxybenzamide
PubChem CID2140111
Molecular FormulaC21H20N2O5S
Molecular Weight412.47 g/mol
Exact Mass412.11
IUPAC NameN-[4-(benzenesulfonamido)phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1OC
InChIInChI=1S/C21H20N2O5S/c1-27-19-13-8-15(14-20(19)28-2)21(24)22-16-9-11-17(12-10-16)23-29(25,26)18-6-4-3-5-7-18/h3-14,23H,1-2H3,(H,22,24)
InChIKeyHYONCVKRTHZIMN-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

Analyze N-[4-(benzenesulfonamido)phenyl]-3,4-dimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzenesulfonamido)phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[4-(benzenesulfonamido)phenyl]-3,4-dimethoxybenzamide (CID 2140111) is N-[4-(benzenesulfonamido)phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[4-(benzenesulfonamido)phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[4-(benzenesulfonamido)phenyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1OC.
What is the InChIKey of N-[4-(benzenesulfonamido)phenyl]-3,4-dimethoxybenzamide?
The InChIKey is HYONCVKRTHZIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5S/c1-27-19-13-8-15(14-20(19)28-2)21(24)22-16-9-11-17(12-10-16)23-29(25,26)18-6-4-3-5-7-18/h3-14,23H,1-2H3,(H,22,24).
What are the key properties of N-[4-(benzenesulfonamido)phenyl]-3,4-dimethoxybenzamide?
N-[4-(benzenesulfonamido)phenyl]-3,4-dimethoxybenzamide 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 N-[4-(benzenesulfonamido)phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 2140111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).