4-(benzenesulfonamido)-3-chloro-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzamide

C23H23ClN2O5S — CID 94020081

IUPAC4-(benzenesulfonamido)-3-chloro-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)cc1OC
InChIInChI=1S/C23H23ClN2O5S/c1-15(16-10-12-21(30-2)22(14-16)31-3)25-23(27)17-9-11-20(19(24)13-17)26-32(28,29)18-7-5-4-6-8-18/h4-15,26H,1-3H3,(H,25,27)/t15-/m1/s1
InChIKeySTVAGODBQVHJLF-OAHLLOKOSA-N
MW474.97 g/mol
LogP4.65
Rot. Bonds8

About 4-(benzenesulfonamido)-3-chloro-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzamide

4-(benzenesulfonamido)-3-chloro-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzamide (PubChem CID 94020081) has the molecular formula C23H23ClN2O5S and a molecular weight of 474.97 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-3-chloro-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-3-chloro-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
PubChem CID94020081
Molecular FormulaC23H23ClN2O5S
Molecular Weight474.97 g/mol
Exact Mass474.10
IUPAC Name4-(benzenesulfonamido)-3-chloro-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)cc1OC
InChIInChI=1S/C23H23ClN2O5S/c1-15(16-10-12-21(30-2)22(14-16)31-3)25-23(27)17-9-11-20(19(24)13-17)26-32(28,29)18-7-5-4-6-8-18/h4-15,26H,1-3H3,(H,25,27)/t15-/m1/s1
InChIKeySTVAGODBQVHJLF-OAHLLOKOSA-N
XLogP4.65
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.97
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 30379464
4-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylbenzamide
CID 46764267
3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 132611720
3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide
CID 43875279
4-(benzenesulfonamido)-3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 28578090
4-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 30398276
4-[(2-methoxyphenyl)sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide
CID 2687763
4-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 93486831
4-(benzenesulfonamido)-3-chloro-N-[(2S)-pentan-2-yl]benzamide
CID 93487479
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 28557637
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide
CID 17329415
4-[(2-chlorophenyl)sulfamoyl]-N-(1-phenylethyl)benzamide
CID 55346393

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-3-chloro-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-3-chloro-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzamide (CID 94020081) is 4-(benzenesulfonamido)-3-chloro-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-3-chloro-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-3-chloro-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzamide is COc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)cc1OC.
What is the InChIKey of 4-(benzenesulfonamido)-3-chloro-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzamide?
The InChIKey is STVAGODBQVHJLF-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H23ClN2O5S/c1-15(16-10-12-21(30-2)22(14-16)31-3)25-23(27)17-9-11-20(19(24)13-17)26-32(28,29)18-7-5-4-6-8-18/h4-15,26H,1-3H3,(H,25,27)/t15-/m1/s1.
What are the key properties of 4-(benzenesulfonamido)-3-chloro-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzamide?
4-(benzenesulfonamido)-3-chloro-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzamide has a molecular weight of 474.97 g/mol, XLogP of 4.65, 8 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-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 94020081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).