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

C22H21ClN2O4S — CID 30281901

IUPAC5-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-2-methylbenzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C
InChIInChI=1S/C22H21ClN2O4S/c1-15-8-10-18(30(27,28)24-14-16-6-4-3-5-7-16)13-19(15)22(26)25-20-12-17(23)9-11-21(20)29-2/h3-13,24H,14H2,1-2H3,(H,25,26)
InChIKeyMXPOPCPLGUHKOO-UHFFFAOYSA-N
MW444.94 g/mol
LogP4.39
Rot. Bonds7

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

5-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-2-methylbenzamide (PubChem CID 30281901) has the molecular formula C22H21ClN2O4S and a molecular weight of 444.94 g/mol. Its IUPAC name is 5-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-2-methylbenzamide
PubChem CID30281901
Molecular FormulaC22H21ClN2O4S
Molecular Weight444.94 g/mol
Exact Mass444.09
IUPAC Name5-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-2-methylbenzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C
InChIInChI=1S/C22H21ClN2O4S/c1-15-8-10-18(30(27,28)24-14-16-6-4-3-5-7-16)13-19(15)22(26)25-20-12-17(23)9-11-21(20)29-2/h3-13,24H,14H2,1-2H3,(H,25,26)
InChIKeyMXPOPCPLGUHKOO-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

N-(5-chloro-2-methoxyphenyl)-2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]benzamide
CID 4079781
5-(benzylsulfamoyl)-N-(2-chlorophenyl)-2-methylbenzamide
CID 30281742
3-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-4-methylbenzamide
CID 32686463
5-(benzylsulfamoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide
CID 46550879
N-(5-chloro-2-methoxyphenyl)-5-[2-(4-chlorophenyl)ethylsulfamoyl]-2-fluorobenzamide
CID 4611034
N-[2-methoxy-5-(pyridin-3-ylmethylsulfamoyl)phenyl]-2-methylbenzamide
CID 6458014
4-chloro-N-[2-methoxy-5-[(4-methylphenyl)methylsulfamoyl]phenyl]benzamide
CID 5213752
2-fluoro-N-(2-methoxy-5-methylphenyl)-5-[(4-methoxyphenyl)methylsulfamoyl]benzamide
CID 5044565
5-(benzylsulfamoyl)-2-methoxy-N-methylbenzamide
CID 6471587
5-(benzylsulfamoyl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-methylbenzamide
CID 55638308
N-(2,5-dimethoxyphenyl)-2-fluoro-5-(2-phenylethylsulfamoyl)benzamide
CID 4609696
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 126397596

Frequently Asked Questions

What is the IUPAC name of 5-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-2-methylbenzamide?
The IUPAC name of 5-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-2-methylbenzamide (CID 30281901) is 5-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-2-methylbenzamide.
What is the SMILES notation for 5-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-2-methylbenzamide?
The canonical SMILES for 5-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-2-methylbenzamide is COc1ccc(Cl)cc1NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C.
What is the InChIKey of 5-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-2-methylbenzamide?
The InChIKey is MXPOPCPLGUHKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4S/c1-15-8-10-18(30(27,28)24-14-16-6-4-3-5-7-16)13-19(15)22(26)25-20-12-17(23)9-11-21(20)29-2/h3-13,24H,14H2,1-2H3,(H,25,26).
What are the key properties of 5-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-2-methylbenzamide?
5-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-2-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 5-(benzylsulfamoyl)-N-(5-chloro-2-methoxyphenyl)-2-methylbenzamide is sourced from PubChem (CID 30281901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).