2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenyl)ethyl]benzamide

C24H25ClN2O4S — CID 26778075

IUPAC2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccccc1CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(C)c2)ccc1Cl
InChIInChI=1S/C24H25ClN2O4S/c1-16-8-9-19(14-17(16)2)27-32(29,30)20-10-11-22(25)21(15-20)24(28)26-13-12-18-6-4-5-7-23(18)31-3/h4-11,14-15,27H,12-13H2,1-3H3,(H,26,28)
InChIKeyVJPHQSGBLIRQPB-UHFFFAOYSA-N
MW472.99 g/mol
LogP4.74
Rot. Bonds8

About 2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenyl)ethyl]benzamide

2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenyl)ethyl]benzamide (PubChem CID 26778075) has the molecular formula C24H25ClN2O4S and a molecular weight of 472.99 g/mol. Its IUPAC name is 2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenyl)ethyl]benzamide
PubChem CID26778075
Molecular FormulaC24H25ClN2O4S
Molecular Weight472.99 g/mol
Exact Mass472.12
IUPAC Name2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccccc1CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(C)c2)ccc1Cl
InChIInChI=1S/C24H25ClN2O4S/c1-16-8-9-19(14-17(16)2)27-32(29,30)20-10-11-22(25)21(15-20)24(28)26-13-12-18-6-4-5-7-23(18)31-3/h4-11,14-15,27H,12-13H2,1-3H3,(H,26,28)
InChIKeyVJPHQSGBLIRQPB-UHFFFAOYSA-N
XLogP4.74
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.99
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 43009499
4-[(3,4-dimethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 26775951
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 126416161
N-[2-(2-fluorophenyl)ethyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 31282050
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 26778064
2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-(1-methoxypropan-2-yl)benzamide
CID 43006083
4-chloro-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 103867838
N-[4-(2-amino-2-oxoethyl)phenyl]-2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 31855172
N-(3,4-dimethylphenyl)-3-ethyl-4-methoxybenzenesulfonamide
CID 53289163
2-chloro-N-[(2-fluorophenyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27163581
2-bromo-5-(cyclopropylsulfamoyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 17484041
2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide
CID 55723665

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenyl)ethyl]benzamide (CID 26778075) is 2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenyl)ethyl]benzamide is COc1ccccc1CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(C)c2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenyl)ethyl]benzamide?
The InChIKey is VJPHQSGBLIRQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O4S/c1-16-8-9-19(14-17(16)2)27-32(29,30)20-10-11-22(25)21(15-20)24(28)26-13-12-18-6-4-5-7-23(18)31-3/h4-11,14-15,27H,12-13H2,1-3H3,(H,26,28).
What are the key properties of 2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenyl)ethyl]benzamide?
2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenyl)ethyl]benzamide has a molecular weight of 472.99 g/mol, XLogP of 4.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 26778075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).