3-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-4-methylbenzamide

C22H21ClN2O4S — CID 32686463

IUPAC3-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-4-methylbenzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C22H21ClN2O4S/c1-15-8-9-17(22(26)25-19-13-18(23)10-11-20(19)29-2)12-21(15)30(27,28)24-14-16-6-4-3-5-7-16/h3-13,24H,14H2,1-2H3,(H,25,26)
InChIKeyBDHNAQIQYNNIAW-UHFFFAOYSA-N
MW444.94 g/mol
LogP4.39
Rot. Bonds7

About 3-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-4-methylbenzamide

3-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-4-methylbenzamide (PubChem CID 32686463) has the molecular formula C22H21ClN2O4S and a molecular weight of 444.94 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-4-methylbenzamide
PubChem CID32686463
Molecular FormulaC22H21ClN2O4S
Molecular Weight444.94 g/mol
Exact Mass444.09
IUPAC Name3-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-4-methylbenzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C22H21ClN2O4S/c1-15-8-9-17(22(26)25-19-13-18(23)10-11-20(19)29-2)12-21(15)30(27,28)24-14-16-6-4-3-5-7-16/h3-13,24H,14H2,1-2H3,(H,25,26)
InChIKeyBDHNAQIQYNNIAW-UHFFFAOYSA-N
XLogP4.39
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.94
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzylsulfamoyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide
CID 32746652
5-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-2-methylbenzamide
CID 30281901
N-(5-chloro-2-methoxyphenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126415005
3-(benzylsulfamoyl)-N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 35623422
3-[(4-chlorophenyl)methylsulfamoyl]-N-(2-ethylphenyl)-4-methoxybenzamide
CID 55525275
3-[(4-chlorophenyl)methylsulfamoyl]-N-(2,4-dimethylphenyl)-4-methoxybenzamide
CID 51545347
N-(5-chloro-2-hydroxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 56581281
3-(benzylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 60593033
3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 24544897
N-benzyl-5-chloro-2-methoxybenzenesulfonamide
CID 801444
4-chloro-N-[2-methoxy-5-[(4-methylphenyl)methylsulfamoyl]phenyl]benzamide
CID 5213752
N-(5-chloro-2-methoxyphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 30684608

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-4-methylbenzamide?
The IUPAC name of 3-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-4-methylbenzamide (CID 32686463) is 3-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-4-methylbenzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-4-methylbenzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-4-methylbenzamide is COc1ccc(Cl)cc1NC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-4-methylbenzamide?
The InChIKey is BDHNAQIQYNNIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4S/c1-15-8-9-17(22(26)25-19-13-18(23)10-11-20(19)29-2)12-21(15)30(27,28)24-14-16-6-4-3-5-7-16/h3-13,24H,14H2,1-2H3,(H,25,26).
What are the key properties of 3-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-4-methylbenzamide?
3-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-4-methylbenzamide has a molecular weight of 444.94 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-4-methylbenzamide is sourced from PubChem (CID 32686463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).