N-benzyl-3-[(4-methoxyphenyl)sulfonylamino]benzamide

C21H20N2O4S — CID 7542047

IUPACN-benzyl-3-[(4-methoxyphenyl)sulfonylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C21H20N2O4S/c1-27-19-10-12-20(13-11-19)28(25,26)23-18-9-5-8-17(14-18)21(24)22-15-16-6-3-2-4-7-16/h2-14,23H,15H2,1H3,(H,22,24)
InChIKeyMCBMFRTXAXZAEG-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.43
Rot. Bonds7

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

N-benzyl-3-[(4-methoxyphenyl)sulfonylamino]benzamide (PubChem CID 7542047) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-benzyl-3-[(4-methoxyphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[(4-methoxyphenyl)sulfonylamino]benzamide
PubChem CID7542047
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC NameN-benzyl-3-[(4-methoxyphenyl)sulfonylamino]benzamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C21H20N2O4S/c1-27-19-10-12-20(13-11-19)28(25,26)23-18-9-5-8-17(14-18)21(24)22-15-16-6-3-2-4-7-16/h2-14,23H,15H2,1H3,(H,22,24)
InChIKeyMCBMFRTXAXZAEG-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-acetamidophenyl)sulfonylamino]-N-benzylbenzamide
CID 17377321
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 18158891
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 41448889
3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]benzamide
CID 9164278
N-[2-(4-methoxyphenoxy)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 24504263
N-[(3-chlorophenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 18291284
N-benzyl-3-[(4-methoxyphenyl)carbamothioylamino]benzamide
CID 17262330
N-benzyl-3-[(3-nitrophenyl)sulfonylamino]benzamide
CID 22773246
3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylethyl)benzamide
CID 18108709
3-[(4-methoxyphenyl)sulfonylamino]-N-[4-[4-[[3-[(4-methoxyphenyl)sulfonylamino]benzoyl]amino]phenyl]phenyl]benzamide
CID 121043305
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 17486112
N-[[3-(aminomethyl)phenyl]methyl]-3-(naphthalen-2-ylsulfonylamino)benzamide
CID 18928951

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(4-methoxyphenyl)sulfonylamino]benzamide?
The IUPAC name of N-benzyl-3-[(4-methoxyphenyl)sulfonylamino]benzamide (CID 7542047) is N-benzyl-3-[(4-methoxyphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-benzyl-3-[(4-methoxyphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-benzyl-3-[(4-methoxyphenyl)sulfonylamino]benzamide is COc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)cc1.
What is the InChIKey of N-benzyl-3-[(4-methoxyphenyl)sulfonylamino]benzamide?
The InChIKey is MCBMFRTXAXZAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-27-19-10-12-20(13-11-19)28(25,26)23-18-9-5-8-17(14-18)21(24)22-15-16-6-3-2-4-7-16/h2-14,23H,15H2,1H3,(H,22,24).
What are the key properties of N-benzyl-3-[(4-methoxyphenyl)sulfonylamino]benzamide?
N-benzyl-3-[(4-methoxyphenyl)sulfonylamino]benzamide has a molecular weight of 396.47 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(4-methoxyphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 7542047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).