2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-(2-hydroxyethyl)acetamide

C13H19ClN2O5S — CID 3304224

IUPAC2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-(2-hydroxyethyl)acetamide
SMILESCC(C)NS(=O)(=O)c1ccc(OCC(=O)NCCO)c(Cl)c1
InChIInChI=1S/C13H19ClN2O5S/c1-9(2)16-22(19,20)10-3-4-12(11(14)7-10)21-8-13(18)15-5-6-17/h3-4,7,9,16-17H,5-6,8H2,1-2H3,(H,15,18)
InChIKeyWZZHWVWFONFGMY-UHFFFAOYSA-N
MW350.82 g/mol
LogP0.51
Rot. Bonds8

About 2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-(2-hydroxyethyl)acetamide

2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-(2-hydroxyethyl)acetamide (PubChem CID 3304224) has the molecular formula C13H19ClN2O5S and a molecular weight of 350.82 g/mol. Its IUPAC name is 2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-(2-hydroxyethyl)acetamide
PubChem CID3304224
Molecular FormulaC13H19ClN2O5S
Molecular Weight350.82 g/mol
Exact Mass350.07
IUPAC Name2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-(2-hydroxyethyl)acetamide
SMILESCC(C)NS(=O)(=O)c1ccc(OCC(=O)NCCO)c(Cl)c1
InChIInChI=1S/C13H19ClN2O5S/c1-9(2)16-22(19,20)10-3-4-12(11(14)7-10)21-8-13(18)15-5-6-17/h3-4,7,9,16-17H,5-6,8H2,1-2H3,(H,15,18)
InChIKeyWZZHWVWFONFGMY-UHFFFAOYSA-N
XLogP0.51
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.82
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-pentan-2-ylacetamide
CID 4036052
2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-phenylacetamide
CID 1265933
N-butyl-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 126392203
3-chloro-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]-N-propan-2-ylbenzenesulfonamide
CID 1264172
N-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 2223900
1-[2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxamide
CID 126383545
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
2-[2-chloro-4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-[(2-chlorophenyl)methyl]acetamide
CID 126383679
N-(2,6-dichlorophenyl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 126395881
N-butyl-2-(2-chloro-4-sulfamoylphenoxy)acetamide
CID 82922015
2-[2-chloro-4-(2-hydroxyethylsulfamoyl)phenoxy]-N,N-dimethylacetamide
CID 100814211

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-(2-hydroxyethyl)acetamide (CID 3304224) is 2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-(2-hydroxyethyl)acetamide is CC(C)NS(=O)(=O)c1ccc(OCC(=O)NCCO)c(Cl)c1.
What is the InChIKey of 2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-(2-hydroxyethyl)acetamide?
The InChIKey is WZZHWVWFONFGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O5S/c1-9(2)16-22(19,20)10-3-4-12(11(14)7-10)21-8-13(18)15-5-6-17/h3-4,7,9,16-17H,5-6,8H2,1-2H3,(H,15,18).
What are the key properties of 2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-(2-hydroxyethyl)acetamide?
2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-(2-hydroxyethyl)acetamide has a molecular weight of 350.82 g/mol, XLogP of 0.51, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 3304224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).