4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-ethoxyphenyl)benzamide

C23H23ClN2O4S — CID 126387173

IUPAC4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-ethoxyphenyl)benzamide
SMILESCCOc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C23H23ClN2O4S/c1-4-30-21-8-6-5-7-20(21)25-23(27)17-10-11-18(24)22(14-17)31(28,29)26-19-12-9-15(2)13-16(19)3/h5-14,26H,4H2,1-3H3,(H,25,27)
InChIKeyUUJWAAAMGCQLMJ-UHFFFAOYSA-N
MW458.97 g/mol
LogP5.41
Rot. Bonds7

About 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-ethoxyphenyl)benzamide

4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-ethoxyphenyl)benzamide (PubChem CID 126387173) has the molecular formula C23H23ClN2O4S and a molecular weight of 458.97 g/mol. Its IUPAC name is 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-ethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-ethoxyphenyl)benzamide
PubChem CID126387173
Molecular FormulaC23H23ClN2O4S
Molecular Weight458.97 g/mol
Exact Mass458.11
IUPAC Name4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-ethoxyphenyl)benzamide
SMILESCCOc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C23H23ClN2O4S/c1-4-30-21-8-6-5-7-20(21)25-23(27)17-10-11-18(24)22(14-17)31(28,29)26-19-12-9-15(2)13-16(19)3/h5-14,26H,4H2,1-3H3,(H,25,27)
InChIKeyUUJWAAAMGCQLMJ-UHFFFAOYSA-N
XLogP5.41
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.97
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-ethoxyphenyl)-4-methylbenzamide
CID 1260706
4-chloro-N-(2,4-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538705
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-methylsulfanylphenyl)benzamide
CID 2226910
4-chloro-N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 46525468
4-chloro-N-(2,4-dimethylphenyl)-3-(phenylsulfamoyl)benzamide
CID 4655092
N-(2-chlorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126385388
methyl 3-[[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzoyl]amino]-4-methylbenzoate
CID 2304391
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-methylbenzamide
CID 3680171
N-(2-ethoxyphenyl)-2,4-dimethylbenzenesulfonamide
CID 7742393
N-(4-bromophenyl)-4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 3355768
N-(2-ethoxyphenyl)-3-[(2-methylphenyl)sulfonylamino]benzamide
CID 1020106
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 5030866

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-ethoxyphenyl)benzamide?
The IUPAC name of 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-ethoxyphenyl)benzamide (CID 126387173) is 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-ethoxyphenyl)benzamide.
What is the SMILES notation for 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-ethoxyphenyl)benzamide?
The canonical SMILES for 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-ethoxyphenyl)benzamide is CCOc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2C)c1.
What is the InChIKey of 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-ethoxyphenyl)benzamide?
The InChIKey is UUJWAAAMGCQLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4S/c1-4-30-21-8-6-5-7-20(21)25-23(27)17-10-11-18(24)22(14-17)31(28,29)26-19-12-9-15(2)13-16(19)3/h5-14,26H,4H2,1-3H3,(H,25,27).
What are the key properties of 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-ethoxyphenyl)benzamide?
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-ethoxyphenyl)benzamide has a molecular weight of 458.97 g/mol, XLogP of 5.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-ethoxyphenyl)benzamide is sourced from PubChem (CID 126387173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).