3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[4-(methylcarbamoylamino)phenyl]benzamide

C22H21ClN4O5S — CID 55521474

IUPAC3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[4-(methylcarbamoylamino)phenyl]benzamide
SMILESCNC(=O)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)ccc3OC)c2)cc1
InChIInChI=1S/C22H21ClN4O5S/c1-24-22(29)26-17-9-7-16(8-10-17)25-21(28)14-4-3-5-18(12-14)33(30,31)27-19-13-15(23)6-11-20(19)32-2/h3-13,27H,1-2H3,(H,25,28)(H2,24,26,29)
InChIKeyWBMFEWBLDFBIMI-UHFFFAOYSA-N
MW488.95 g/mol
LogP4.15
Rot. Bonds7

About 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[4-(methylcarbamoylamino)phenyl]benzamide

3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[4-(methylcarbamoylamino)phenyl]benzamide (PubChem CID 55521474) has the molecular formula C22H21ClN4O5S and a molecular weight of 488.95 g/mol. Its IUPAC name is 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[4-(methylcarbamoylamino)phenyl]benzamide.

Molecular Properties

Compound Name3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[4-(methylcarbamoylamino)phenyl]benzamide
PubChem CID55521474
Molecular FormulaC22H21ClN4O5S
Molecular Weight488.95 g/mol
Exact Mass488.09
IUPAC Name3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[4-(methylcarbamoylamino)phenyl]benzamide
SMILESCNC(=O)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)ccc3OC)c2)cc1
InChIInChI=1S/C22H21ClN4O5S/c1-24-22(29)26-17-9-7-16(8-10-17)25-21(28)14-4-3-5-18(12-14)33(30,31)27-19-13-15(23)6-11-20(19)32-2/h3-13,27H,1-2H3,(H,25,28)(H2,24,26,29)
InChIKeyWBMFEWBLDFBIMI-UHFFFAOYSA-N
XLogP4.15
TPSA125.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.95
LogP ≤ 54.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzamide
CID 27256046
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 46652166
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(2-fluorophenyl)benzamide
CID 26584389
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(2-ethylphenyl)benzamide
CID 46540697
3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-chloro-2-methylphenyl)benzamide
CID 4795153
N-(5-chloro-2-methoxyphenyl)-3-(ethylsulfamoyl)benzamide
CID 26582371
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 43002443
N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxy-N-phenylbenzamide
CID 18626240
3-chloro-N-[2-methoxy-5-(phenylsulfamoyl)phenyl]benzamide
CID 4646574
3-methoxy-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 2449372
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 24816551

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[4-(methylcarbamoylamino)phenyl]benzamide?
The IUPAC name of 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[4-(methylcarbamoylamino)phenyl]benzamide (CID 55521474) is 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[4-(methylcarbamoylamino)phenyl]benzamide.
What is the SMILES notation for 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[4-(methylcarbamoylamino)phenyl]benzamide?
The canonical SMILES for 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[4-(methylcarbamoylamino)phenyl]benzamide is CNC(=O)Nc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)ccc3OC)c2)cc1.
What is the InChIKey of 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[4-(methylcarbamoylamino)phenyl]benzamide?
The InChIKey is WBMFEWBLDFBIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O5S/c1-24-22(29)26-17-9-7-16(8-10-17)25-21(28)14-4-3-5-18(12-14)33(30,31)27-19-13-15(23)6-11-20(19)32-2/h3-13,27H,1-2H3,(H,25,28)(H2,24,26,29).
What are the key properties of 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[4-(methylcarbamoylamino)phenyl]benzamide?
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[4-(methylcarbamoylamino)phenyl]benzamide has a molecular weight of 488.95 g/mol, XLogP of 4.15, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[4-(methylcarbamoylamino)phenyl]benzamide is sourced from PubChem (CID 55521474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).