2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide

C22H19Cl3N2O4S — CID 126393256

IUPAC2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1)c1ccccc1
InChIInChI=1S/C22H19Cl3N2O4S/c1-14(15-5-3-2-4-6-15)27-32(29,30)17-8-10-21(20(25)12-17)31-13-22(28)26-16-7-9-18(23)19(24)11-16/h2-12,14,27H,13H2,1H3,(H,26,28)/t14-/m1/s1
InChIKeyVRRADQVATLPBFY-CQSZACIVSA-N
MW513.83 g/mol
LogP5.70
Rot. Bonds8

About 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide

2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide (PubChem CID 126393256) has the molecular formula C22H19Cl3N2O4S and a molecular weight of 513.83 g/mol. Its IUPAC name is 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide
PubChem CID126393256
Molecular FormulaC22H19Cl3N2O4S
Molecular Weight513.83 g/mol
Exact Mass512.01
IUPAC Name2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1)c1ccccc1
InChIInChI=1S/C22H19Cl3N2O4S/c1-14(15-5-3-2-4-6-15)27-32(29,30)17-8-10-21(20(25)12-17)31-13-22(28)26-16-7-9-18(23)19(24)11-16/h2-12,14,27H,13H2,1H3,(H,26,28)/t14-/m1/s1
InChIKeyVRRADQVATLPBFY-CQSZACIVSA-N
XLogP5.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.83
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 124550833
4-[[2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzamide
CID 40975726
2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-(3-fluorophenyl)acetamide
CID 3618567
2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 124551001
N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 1264182
2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide
CID 124550737
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 124550738
N-tert-butyl-2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126381951
2-[2-chloro-4-(1-phenylethylsulfamoyl)phenoxy]-N-(2-fluorophenyl)acetamide
CID 3457856
2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-phenylacetamide
CID 1265933
methyl 2-[[2-[2-chloro-4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]amino]benzoate
CID 126387998
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(2-phenoxyphenyl)acetamide
CID 124554917

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide?
The IUPAC name of 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide (CID 126393256) is 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide is C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1)c1ccccc1.
What is the InChIKey of 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide?
The InChIKey is VRRADQVATLPBFY-CQSZACIVSA-N. The full InChI is InChI=1S/C22H19Cl3N2O4S/c1-14(15-5-3-2-4-6-15)27-32(29,30)17-8-10-21(20(25)12-17)31-13-22(28)26-16-7-9-18(23)19(24)11-16/h2-12,14,27H,13H2,1H3,(H,26,28)/t14-/m1/s1.
What are the key properties of 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide?
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide has a molecular weight of 513.83 g/mol, XLogP of 5.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 126393256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).