3-chloro-4,5-dimethoxy-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]benzamide

C23H23ClN2O5S — CID 26877954

IUPAC3-chloro-4,5-dimethoxy-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc(Cl)c1OC
InChIInChI=1S/C23H23ClN2O5S/c1-14-6-5-7-18(10-14)26-32(28,29)21-13-17(9-8-15(21)2)25-23(27)16-11-19(24)22(31-4)20(12-16)30-3/h5-13,26H,1-4H3,(H,25,27)
InChIKeyHMLYYLFFMVQXSQ-UHFFFAOYSA-N
MW474.97 g/mol
LogP5.03
Rot. Bonds7

About 3-chloro-4,5-dimethoxy-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]benzamide

3-chloro-4,5-dimethoxy-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]benzamide (PubChem CID 26877954) has the molecular formula C23H23ClN2O5S and a molecular weight of 474.97 g/mol. Its IUPAC name is 3-chloro-4,5-dimethoxy-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-4,5-dimethoxy-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
PubChem CID26877954
Molecular FormulaC23H23ClN2O5S
Molecular Weight474.97 g/mol
Exact Mass474.10
IUPAC Name3-chloro-4,5-dimethoxy-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc(Cl)c1OC
InChIInChI=1S/C23H23ClN2O5S/c1-14-6-5-7-18(10-14)26-32(28,29)21-13-17(9-8-15(21)2)25-23(27)16-11-19(24)22(31-4)20(12-16)30-3/h5-13,26H,1-4H3,(H,25,27)
InChIKeyHMLYYLFFMVQXSQ-UHFFFAOYSA-N
XLogP5.03
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.97
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4,5-dimethoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 26642074
N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 4846593
N-[3-(benzenesulfonamido)-4-methylphenyl]-3-chloro-4,5-dimethoxybenzamide
CID 46465633
3-chloro-4,5-dimethoxy-N-(3-sulfamoylphenyl)benzamide
CID 9413012
ethyl 2-chloro-4-[[4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoyl]amino]benzoate
CID 28575515
3-chloro-N-(3-iodophenyl)-4,5-dimethoxybenzamide
CID 3543943
N-[3-(butylsulfamoyl)phenyl]-3-chloro-4,5-dimethoxybenzamide
CID 27992662
3,4,5-trimethoxy-N-[4-(3-methylanilino)phenyl]benzamide
CID 112985955
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,3-dimethoxybenzamide
CID 24645186
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,4-dimethoxybenzamide
CID 26774130
N-(5-chloro-2-methoxyphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 30684608
3-chloro-N-[3-(diethylsulfamoyl)phenyl]-4,5-dimethoxybenzamide
CID 26252009

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethoxy-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 3-chloro-4,5-dimethoxy-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]benzamide (CID 26877954) is 3-chloro-4,5-dimethoxy-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 3-chloro-4,5-dimethoxy-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 3-chloro-4,5-dimethoxy-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]benzamide is COc1cc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc(Cl)c1OC.
What is the InChIKey of 3-chloro-4,5-dimethoxy-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is HMLYYLFFMVQXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O5S/c1-14-6-5-7-18(10-14)26-32(28,29)21-13-17(9-8-15(21)2)25-23(27)16-11-19(24)22(31-4)20(12-16)30-3/h5-13,26H,1-4H3,(H,25,27).
What are the key properties of 3-chloro-4,5-dimethoxy-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]benzamide?
3-chloro-4,5-dimethoxy-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 474.97 g/mol, XLogP of 5.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-dimethoxy-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 26877954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).