N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,4-dimethoxybenzamide

C22H21ClN2O5S — CID 26774130

IUPACN-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3cccc(Cl)c3)c2)c(OC)c1
InChIInChI=1S/C22H21ClN2O5S/c1-14-7-8-16(24-22(26)19-10-9-18(29-2)13-20(19)30-3)12-21(14)31(27,28)25-17-6-4-5-15(23)11-17/h4-13,25H,1-3H3,(H,24,26)
InChIKeyXCIJBEAUFWQHCN-UHFFFAOYSA-N
MW460.94 g/mol
LogP4.72
Rot. Bonds7

About N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,4-dimethoxybenzamide

N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,4-dimethoxybenzamide (PubChem CID 26774130) has the molecular formula C22H21ClN2O5S and a molecular weight of 460.94 g/mol. Its IUPAC name is N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,4-dimethoxybenzamide
PubChem CID26774130
Molecular FormulaC22H21ClN2O5S
Molecular Weight460.94 g/mol
Exact Mass460.09
IUPAC NameN-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3cccc(Cl)c3)c2)c(OC)c1
InChIInChI=1S/C22H21ClN2O5S/c1-14-7-8-16(24-22(26)19-10-9-18(29-2)13-20(19)30-3)12-21(14)31(27,28)25-17-6-4-5-15(23)11-17/h4-13,25H,1-3H3,(H,24,26)
InChIKeyXCIJBEAUFWQHCN-UHFFFAOYSA-N
XLogP4.72
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.94
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-methylbenzamide
CID 26774127
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-(3-methoxyphenyl)acetamide
CID 42990204
N-[4-[(3-chlorobenzoyl)amino]phenyl]-2,4-dimethoxybenzamide
CID 17314016
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-6-methylpyridine-3-carboxamide
CID 38020627
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,4,5-trimethylfuran-3-carboxamide
CID 26721810
N-(3-chlorophenyl)-2-hydroxy-4-methoxybenzamide
CID 5274047
N-[4-[[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide
CID 26979177
3-chloro-4,5-dimethoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 26642074
2-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-5-methylsulfanylbenzamide
CID 26642387
3-chloro-4,5-dimethoxy-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 26877954
6-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyridine-3-carboxamide
CID 26642328
N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 19683549

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,4-dimethoxybenzamide (CID 26774130) is N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3cccc(Cl)c3)c2)c(OC)c1.
What is the InChIKey of N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,4-dimethoxybenzamide?
The InChIKey is XCIJBEAUFWQHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O5S/c1-14-7-8-16(24-22(26)19-10-9-18(29-2)13-20(19)30-3)12-21(14)31(27,28)25-17-6-4-5-15(23)11-17/h4-13,25H,1-3H3,(H,24,26).
What are the key properties of N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,4-dimethoxybenzamide?
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,4-dimethoxybenzamide has a molecular weight of 460.94 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 26774130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).