4-(benzenesulfonamido)-3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide

C23H23ClN2O5S — CID 28578090

IUPAC4-(benzenesulfonamido)-3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)cc1OC
InChIInChI=1S/C23H23ClN2O5S/c1-30-21-11-8-16(14-22(21)31-2)12-13-25-23(27)17-9-10-20(19(24)15-17)26-32(28,29)18-6-4-3-5-7-18/h3-11,14-15,26H,12-13H2,1-2H3,(H,25,27)
InChIKeyMXFNZPORUQHTJT-UHFFFAOYSA-N
MW474.97 g/mol
LogP4.13
Rot. Bonds9

About 4-(benzenesulfonamido)-3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide

4-(benzenesulfonamido)-3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide (PubChem CID 28578090) has the molecular formula C23H23ClN2O5S and a molecular weight of 474.97 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
PubChem CID28578090
Molecular FormulaC23H23ClN2O5S
Molecular Weight474.97 g/mol
Exact Mass474.10
IUPAC Name4-(benzenesulfonamido)-3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)cc1OC
InChIInChI=1S/C23H23ClN2O5S/c1-30-21-11-8-16(14-22(21)31-2)12-13-25-23(27)17-9-10-20(19(24)15-17)26-32(28,29)18-6-4-3-5-7-18/h3-11,14-15,26H,12-13H2,1-2H3,(H,25,27)
InChIKeyMXFNZPORUQHTJT-UHFFFAOYSA-N
XLogP4.13
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.97
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-chlorophenyl)sulfamoyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 32735630
4-(benzenesulfonamido)-3-chloro-N-[3-(3-methoxyphenyl)propyl]benzamide
CID 92674197
4-(benzenesulfonamido)-3-chloro-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 94020081
5-(benzenesulfonamido)-2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]benzamide
CID 99954563
4-(benzenesulfonamido)-3-chloro-N-(3-methylbutyl)benzamide
CID 99953455
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-3-(phenylsulfamoyl)benzamide
CID 2232975
4-(benzenesulfonamido)-3-chloro-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 43915504
4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,5-dimethylphenyl)sulfamoyl]benzamide
CID 3595994
4-[(2-chlorophenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 34820303
N-[2-(4-fluorophenyl)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26796078
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 26775783
3-chloro-N-[3-(3-methoxyphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43909714

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide (CID 28578090) is 4-(benzenesulfonamido)-3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide is COc1ccc(CCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)cc1OC.
What is the InChIKey of 4-(benzenesulfonamido)-3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
The InChIKey is MXFNZPORUQHTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O5S/c1-30-21-11-8-16(14-22(21)31-2)12-13-25-23(27)17-9-10-20(19(24)15-17)26-32(28,29)18-6-4-3-5-7-18/h3-11,14-15,26H,12-13H2,1-2H3,(H,25,27).
What are the key properties of 4-(benzenesulfonamido)-3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
4-(benzenesulfonamido)-3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide has a molecular weight of 474.97 g/mol, XLogP of 4.13, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 28578090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).