2-chloro-4-[[3-[methyl-(4-methylphenyl)sulfamoyl]benzoyl]amino]benzamide

C22H20ClN3O4S — CID 55611308

IUPAC2-chloro-4-[[3-[methyl-(4-methylphenyl)sulfamoyl]benzoyl]amino]benzamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(C(N)=O)c(Cl)c3)c2)cc1
InChIInChI=1S/C22H20ClN3O4S/c1-14-6-9-17(10-7-14)26(2)31(29,30)18-5-3-4-15(12-18)22(28)25-16-8-11-19(21(24)27)20(23)13-16/h3-13H,1-2H3,(H2,24,27)(H,25,28)
InChIKeyFHAMLGQIPWGCCI-UHFFFAOYSA-N
MW457.94 g/mol
LogP3.82
Rot. Bonds6

About 2-chloro-4-[[3-[methyl-(4-methylphenyl)sulfamoyl]benzoyl]amino]benzamide

2-chloro-4-[[3-[methyl-(4-methylphenyl)sulfamoyl]benzoyl]amino]benzamide (PubChem CID 55611308) has the molecular formula C22H20ClN3O4S and a molecular weight of 457.94 g/mol. Its IUPAC name is 2-chloro-4-[[3-[methyl-(4-methylphenyl)sulfamoyl]benzoyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-4-[[3-[methyl-(4-methylphenyl)sulfamoyl]benzoyl]amino]benzamide
PubChem CID55611308
Molecular FormulaC22H20ClN3O4S
Molecular Weight457.94 g/mol
Exact Mass457.09
IUPAC Name2-chloro-4-[[3-[methyl-(4-methylphenyl)sulfamoyl]benzoyl]amino]benzamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(C(N)=O)c(Cl)c3)c2)cc1
InChIInChI=1S/C22H20ClN3O4S/c1-14-6-9-17(10-7-14)26(2)31(29,30)18-5-3-4-15(12-18)22(28)25-16-8-11-19(21(24)27)20(23)13-16/h3-13H,1-2H3,(H2,24,27)(H,25,28)
InChIKeyFHAMLGQIPWGCCI-UHFFFAOYSA-N
XLogP3.82
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.94
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-[[3-[(4-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]benzamide
CID 55611031
N-(3-hydroxyphenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 78783087
N-(3-fluoro-4-methylphenyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 7962924
3-[methyl-(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 39130989
N-[4-(ethylcarbamoyl)phenyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 55802210
ethyl 2-chloro-4-[[3-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 100625550
3-[(5-chloro-2,4-dimethoxyphenyl)-methylsulfamoyl]-N-(4-methylphenyl)benzamide
CID 2081686
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29369730
N-tert-butyl-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 2670988
N-methyl-N-(4-methylphenyl)-3-[(pyridine-4-carbonylamino)carbamoyl]benzenesulfonamide
CID 25163438
2-chloro-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide
CID 39171138
N-(1-amino-2-methylpropan-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 119521508

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[3-[methyl-(4-methylphenyl)sulfamoyl]benzoyl]amino]benzamide?
The IUPAC name of 2-chloro-4-[[3-[methyl-(4-methylphenyl)sulfamoyl]benzoyl]amino]benzamide (CID 55611308) is 2-chloro-4-[[3-[methyl-(4-methylphenyl)sulfamoyl]benzoyl]amino]benzamide.
What is the SMILES notation for 2-chloro-4-[[3-[methyl-(4-methylphenyl)sulfamoyl]benzoyl]amino]benzamide?
The canonical SMILES for 2-chloro-4-[[3-[methyl-(4-methylphenyl)sulfamoyl]benzoyl]amino]benzamide is Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(C(N)=O)c(Cl)c3)c2)cc1.
What is the InChIKey of 2-chloro-4-[[3-[methyl-(4-methylphenyl)sulfamoyl]benzoyl]amino]benzamide?
The InChIKey is FHAMLGQIPWGCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O4S/c1-14-6-9-17(10-7-14)26(2)31(29,30)18-5-3-4-15(12-18)22(28)25-16-8-11-19(21(24)27)20(23)13-16/h3-13H,1-2H3,(H2,24,27)(H,25,28).
What are the key properties of 2-chloro-4-[[3-[methyl-(4-methylphenyl)sulfamoyl]benzoyl]amino]benzamide?
2-chloro-4-[[3-[methyl-(4-methylphenyl)sulfamoyl]benzoyl]amino]benzamide has a molecular weight of 457.94 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[3-[methyl-(4-methylphenyl)sulfamoyl]benzoyl]amino]benzamide is sourced from PubChem (CID 55611308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).