4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide

C21H20N2O4S — CID 4948543

IUPAC4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C21H20N2O4S/c1-2-27-19-12-8-16(9-13-19)21(24)22-17-10-14-20(15-11-17)28(25,26)23-18-6-4-3-5-7-18/h3-15,23H,2H2,1H3,(H,22,24)
InChIKeyQDWWQDUBWVBRDD-UHFFFAOYSA-N
MW396.47 g/mol
LogP4.14
Rot. Bonds7

About 4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide

4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide (PubChem CID 4948543) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is 4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
PubChem CID4948543
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC Name4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C21H20N2O4S/c1-2-27-19-12-8-16(9-13-19)21(24)22-17-10-14-20(15-11-17)28(25,26)23-18-6-4-3-5-7-18/h3-15,23H,2H2,1H3,(H,22,24)
InChIKeyQDWWQDUBWVBRDD-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26537872
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(2-methylpropoxy)benzamide
CID 4937097
4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methoxyphenyl)benzamide
CID 27167584
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-nitrobenzamide
CID 3950835
4-[(4-ethoxyphenyl)sulfonylamino]-N-(3-nitrophenyl)benzamide
CID 2344490
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-methoxybenzamide
CID 17146887
4-ethoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 3601253
N-(2,3-dimethylphenyl)-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 26538532
N-[4-(diethylamino)phenyl]-4-(phenylsulfamoyl)benzamide
CID 27229305
N-(4-ethoxyphenyl)-4-[[(2-hydroxybenzoyl)amino]carbamoyl]benzenesulfonamide
CID 24981829
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 19062515
4-(benzenesulfonamido)-N-(3,4-diethoxyphenyl)benzamide
CID 43009389

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide (CID 4948543) is 4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide is CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide?
The InChIKey is QDWWQDUBWVBRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-2-27-19-12-8-16(9-13-19)21(24)22-17-10-14-20(15-11-17)28(25,26)23-18-6-4-3-5-7-18/h3-15,23H,2H2,1H3,(H,22,24).
What are the key properties of 4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide?
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide has a molecular weight of 396.47 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 4948543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).