N-[2-(benzenesulfonamido)phenyl]-4-(methoxymethyl)benzamide

C21H20N2O4S — CID 49202399

IUPACN-[2-(benzenesulfonamido)phenyl]-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H20N2O4S/c1-27-15-16-11-13-17(14-12-16)21(24)22-19-9-5-6-10-20(19)23-28(25,26)18-7-3-2-4-8-18/h2-14,23H,15H2,1H3,(H,22,24)
InChIKeyPHXGNQBDLHPNKK-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.89
Rot. Bonds7

About N-[2-(benzenesulfonamido)phenyl]-4-(methoxymethyl)benzamide

N-[2-(benzenesulfonamido)phenyl]-4-(methoxymethyl)benzamide (PubChem CID 49202399) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[2-(benzenesulfonamido)phenyl]-4-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonamido)phenyl]-4-(methoxymethyl)benzamide
PubChem CID49202399
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC NameN-[2-(benzenesulfonamido)phenyl]-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H20N2O4S/c1-27-15-16-11-13-17(14-12-16)21(24)22-19-9-5-6-10-20(19)23-28(25,26)18-7-3-2-4-8-18/h2-14,23H,15H2,1H3,(H,22,24)
InChIKeyPHXGNQBDLHPNKK-UHFFFAOYSA-N
XLogP3.89
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]benzamide
CID 15294862
4-hydroxy-N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]benzamide
CID 15294835
N-[2-[(3,4,5-trimethoxyphenyl)sulfonylamino]phenyl]benzamide
CID 69347102
N-[3-(methoxymethyl)phenyl]-4-(phenylsulfamoyl)benzamide
CID 32638750
N-(2-benzamidophenyl)-4-(benzenesulfonylmethyl)benzamide
CID 55934258
CID 171762168
CID 171762168
N-(2-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9342166
2-[[4-(benzenesulfonamido)benzoyl]amino]-N-propan-2-ylbenzamide
CID 2979282
N-[2-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]benzamide
CID 15294861
4-[(4-ethylphenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide
CID 7516537
4-(bromomethyl)-N-[2-(methoxymethyl)phenyl]benzamide
CID 102851092
4-(benzenesulfonamido)-N-(2,3-dimethylphenyl)benzamide
CID 1252770

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonamido)phenyl]-4-(methoxymethyl)benzamide?
The IUPAC name of N-[2-(benzenesulfonamido)phenyl]-4-(methoxymethyl)benzamide (CID 49202399) is N-[2-(benzenesulfonamido)phenyl]-4-(methoxymethyl)benzamide.
What is the SMILES notation for N-[2-(benzenesulfonamido)phenyl]-4-(methoxymethyl)benzamide?
The canonical SMILES for N-[2-(benzenesulfonamido)phenyl]-4-(methoxymethyl)benzamide is COCc1ccc(C(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-(benzenesulfonamido)phenyl]-4-(methoxymethyl)benzamide?
The InChIKey is PHXGNQBDLHPNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-27-15-16-11-13-17(14-12-16)21(24)22-19-9-5-6-10-20(19)23-28(25,26)18-7-3-2-4-8-18/h2-14,23H,15H2,1H3,(H,22,24).
What are the key properties of N-[2-(benzenesulfonamido)phenyl]-4-(methoxymethyl)benzamide?
N-[2-(benzenesulfonamido)phenyl]-4-(methoxymethyl)benzamide has a molecular weight of 396.47 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonamido)phenyl]-4-(methoxymethyl)benzamide is sourced from PubChem (CID 49202399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).