2-[2-chloro-4-(2-hydroxyethylsulfamoyl)phenoxy]-N,N-dimethylacetamide

C12H17ClN2O5S — CID 100814211

IUPAC2-[2-chloro-4-(2-hydroxyethylsulfamoyl)phenoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1ccc(S(=O)(=O)NCCO)cc1Cl
InChIInChI=1S/C12H17ClN2O5S/c1-15(2)12(17)8-20-11-4-3-9(7-10(11)13)21(18,19)14-5-6-16/h3-4,7,14,16H,5-6,8H2,1-2H3
InChIKeyFIBNPNBLXDWHAS-UHFFFAOYSA-N
MW336.80 g/mol
LogP0.08
Rot. Bonds7

About 2-[2-chloro-4-(2-hydroxyethylsulfamoyl)phenoxy]-N,N-dimethylacetamide

2-[2-chloro-4-(2-hydroxyethylsulfamoyl)phenoxy]-N,N-dimethylacetamide (PubChem CID 100814211) has the molecular formula C12H17ClN2O5S and a molecular weight of 336.80 g/mol. Its IUPAC name is 2-[2-chloro-4-(2-hydroxyethylsulfamoyl)phenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-chloro-4-(2-hydroxyethylsulfamoyl)phenoxy]-N,N-dimethylacetamide
PubChem CID100814211
Molecular FormulaC12H17ClN2O5S
Molecular Weight336.80 g/mol
Exact Mass336.05
IUPAC Name2-[2-chloro-4-(2-hydroxyethylsulfamoyl)phenoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1ccc(S(=O)(=O)NCCO)cc1Cl
InChIInChI=1S/C12H17ClN2O5S/c1-15(2)12(17)8-20-11-4-3-9(7-10(11)13)21(18,19)14-5-6-16/h3-4,7,14,16H,5-6,8H2,1-2H3
InChIKeyFIBNPNBLXDWHAS-UHFFFAOYSA-N
XLogP0.08
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-fluoro-4-(2-methoxyethylsulfamoyl)phenoxy]-N,N-dimethylacetamide
CID 100814318
2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N,N-diethylacetamide
CID 1007844
2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-(2-hydroxyethyl)acetamide
CID 3304224
4-chloro-N-(2-hydroxyethyl)-3-methylbenzenesulfonamide
CID 25049689
3-chloro-4-ethoxy-N-(3-methoxypropyl)benzenesulfonamide
CID 110758135
3-chloro-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybenzenesulfonamide
CID 62498134
2-chloro-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 107089911
3-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 106545570
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]acetic acid
CID 7342391
2-(2,4-dichlorophenoxy)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 108572836
3-[3-chloro-4-[2-(dimethylamino)-2-oxoethoxy]phenyl]prop-2-enoic acid
CID 76914652
2-(2-chlorophenoxy)-N,N-dimethylacetamide
CID 28639790

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(2-hydroxyethylsulfamoyl)phenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-chloro-4-(2-hydroxyethylsulfamoyl)phenoxy]-N,N-dimethylacetamide (CID 100814211) is 2-[2-chloro-4-(2-hydroxyethylsulfamoyl)phenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-chloro-4-(2-hydroxyethylsulfamoyl)phenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-chloro-4-(2-hydroxyethylsulfamoyl)phenoxy]-N,N-dimethylacetamide is CN(C)C(=O)COc1ccc(S(=O)(=O)NCCO)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-(2-hydroxyethylsulfamoyl)phenoxy]-N,N-dimethylacetamide?
The InChIKey is FIBNPNBLXDWHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O5S/c1-15(2)12(17)8-20-11-4-3-9(7-10(11)13)21(18,19)14-5-6-16/h3-4,7,14,16H,5-6,8H2,1-2H3.
What are the key properties of 2-[2-chloro-4-(2-hydroxyethylsulfamoyl)phenoxy]-N,N-dimethylacetamide?
2-[2-chloro-4-(2-hydroxyethylsulfamoyl)phenoxy]-N,N-dimethylacetamide has a molecular weight of 336.80 g/mol, XLogP of 0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(2-hydroxyethylsulfamoyl)phenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 100814211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).