2,4-dichloro-5-[ethyl(phenyl)sulfamoyl]-N-(4-methoxyphenyl)benzamide

C22H20Cl2N2O4S — CID 26578423

IUPAC2,4-dichloro-5-[ethyl(phenyl)sulfamoyl]-N-(4-methoxyphenyl)benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(OC)cc2)c(Cl)cc1Cl
InChIInChI=1S/C22H20Cl2N2O4S/c1-3-26(16-7-5-4-6-8-16)31(28,29)21-13-18(19(23)14-20(21)24)22(27)25-15-9-11-17(30-2)12-10-15/h4-14H,3H2,1-2H3,(H,25,27)
InChIKeyHFPBCWGLGOKGIH-UHFFFAOYSA-N
MW479.39 g/mol
LogP5.47
Rot. Bonds7

About 2,4-dichloro-5-[ethyl(phenyl)sulfamoyl]-N-(4-methoxyphenyl)benzamide

2,4-dichloro-5-[ethyl(phenyl)sulfamoyl]-N-(4-methoxyphenyl)benzamide (PubChem CID 26578423) has the molecular formula C22H20Cl2N2O4S and a molecular weight of 479.39 g/mol. Its IUPAC name is 2,4-dichloro-5-[ethyl(phenyl)sulfamoyl]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-[ethyl(phenyl)sulfamoyl]-N-(4-methoxyphenyl)benzamide
PubChem CID26578423
Molecular FormulaC22H20Cl2N2O4S
Molecular Weight479.39 g/mol
Exact Mass478.05
IUPAC Name2,4-dichloro-5-[ethyl(phenyl)sulfamoyl]-N-(4-methoxyphenyl)benzamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(OC)cc2)c(Cl)cc1Cl
InChIInChI=1S/C22H20Cl2N2O4S/c1-3-26(16-7-5-4-6-8-16)31(28,29)21-13-18(19(23)14-20(21)24)22(27)25-15-9-11-17(30-2)12-10-15/h4-14H,3H2,1-2H3,(H,25,27)
InChIKeyHFPBCWGLGOKGIH-UHFFFAOYSA-N
XLogP5.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.39
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-5-[ethyl(phenyl)sulfamoyl]-N-methyl-N-phenylbenzamide
CID 34495212
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2,5-difluorobenzamide
CID 43030093
2-chloro-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 52893457
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(4-methoxyphenyl)benzamide
CID 5295477
N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide
CID 4942716
3-acetamido-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]benzamide
CID 42992579
2,4-dichloro-5-(cyclopentylsulfamoyl)-N-(4-methoxyphenyl)benzamide
CID 19257437
2,4-dichloro-5-[(2-hydroxyphenyl)-methylsulfamoyl]-N-phenylbenzamide
CID 26435626
N-(4-chlorophenyl)-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1099949
N-(4-methoxyphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 1360894
N-ethyl-4-[[2-(4-methoxyphenyl)-2-oxoethyl]amino]-N-phenylbenzenesulfonamide
CID 110825657
[2-[4-chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]-dimethylazanium
CID 7870484

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[ethyl(phenyl)sulfamoyl]-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 2,4-dichloro-5-[ethyl(phenyl)sulfamoyl]-N-(4-methoxyphenyl)benzamide (CID 26578423) is 2,4-dichloro-5-[ethyl(phenyl)sulfamoyl]-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 2,4-dichloro-5-[ethyl(phenyl)sulfamoyl]-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 2,4-dichloro-5-[ethyl(phenyl)sulfamoyl]-N-(4-methoxyphenyl)benzamide is CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(OC)cc2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-[ethyl(phenyl)sulfamoyl]-N-(4-methoxyphenyl)benzamide?
The InChIKey is HFPBCWGLGOKGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O4S/c1-3-26(16-7-5-4-6-8-16)31(28,29)21-13-18(19(23)14-20(21)24)22(27)25-15-9-11-17(30-2)12-10-15/h4-14H,3H2,1-2H3,(H,25,27).
What are the key properties of 2,4-dichloro-5-[ethyl(phenyl)sulfamoyl]-N-(4-methoxyphenyl)benzamide?
2,4-dichloro-5-[ethyl(phenyl)sulfamoyl]-N-(4-methoxyphenyl)benzamide has a molecular weight of 479.39 g/mol, XLogP of 5.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[ethyl(phenyl)sulfamoyl]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 26578423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).