N-(4-chloro-2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide

C22H21ClN2O5S — CID 26620643

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCOc1cc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)c(OC)cc1Cl
InChIInChI=1S/C22H21ClN2O5S/c1-14-7-9-16(10-8-14)25-31(27,28)17-6-4-5-15(11-17)22(26)24-19-13-20(29-2)18(23)12-21(19)30-3/h4-13,25H,1-3H3,(H,24,26)
InChIKeyCDWRIUKWLFQYIB-UHFFFAOYSA-N
MW460.94 g/mol
LogP4.72
Rot. Bonds7

About N-(4-chloro-2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide

N-(4-chloro-2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 26620643) has the molecular formula C22H21ClN2O5S and a molecular weight of 460.94 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID26620643
Molecular FormulaC22H21ClN2O5S
Molecular Weight460.94 g/mol
Exact Mass460.09
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCOc1cc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)c(OC)cc1Cl
InChIInChI=1S/C22H21ClN2O5S/c1-14-7-9-16(10-8-14)25-31(27,28)17-6-4-5-15(11-17)22(26)24-19-13-20(29-2)18(23)12-21(19)30-3/h4-13,25H,1-3H3,(H,24,26)
InChIKeyCDWRIUKWLFQYIB-UHFFFAOYSA-N
XLogP4.72
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.94
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 95254693
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384
N-(4-chloro-2,5-dimethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2553216
N-(4-chloro-2,5-dimethoxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26620585
3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-chloro-2-methylphenyl)benzamide
CID 4795153
3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-N-(2-chlorophenyl)benzamide
CID 26575177
3-[(2-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2687813
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylsulfonylbenzamide
CID 2668918
3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(4-methylphenyl)benzamide
CID 2081686
N-(3-chloro-4-methoxyphenyl)-3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzamide
CID 27256046
N-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 94788763
3-[(4-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26499000

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide (CID 26620643) is N-(4-chloro-2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide is COc1cc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is CDWRIUKWLFQYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O5S/c1-14-7-9-16(10-8-14)25-31(27,28)17-6-4-5-15(11-17)22(26)24-19-13-20(29-2)18(23)12-21(19)30-3/h4-13,25H,1-3H3,(H,24,26).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide?
N-(4-chloro-2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 460.94 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 26620643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).