2-(4-chloro-2-sulfamoylphenoxy)-N,N-diethylacetamide

C12H17ClN2O4S — CID 82915390

IUPAC2-(4-chloro-2-sulfamoylphenoxy)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1ccc(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C12H17ClN2O4S/c1-3-15(4-2)12(16)8-19-10-6-5-9(13)7-11(10)20(14,17)18/h5-7H,3-4,8H2,1-2H3,(H2,14,17,18)
InChIKeyCOLAYHGLOMIHFN-UHFFFAOYSA-N
MW320.80 g/mol
LogP1.23
Rot. Bonds6

About 2-(4-chloro-2-sulfamoylphenoxy)-N,N-diethylacetamide

2-(4-chloro-2-sulfamoylphenoxy)-N,N-diethylacetamide (PubChem CID 82915390) has the molecular formula C12H17ClN2O4S and a molecular weight of 320.80 g/mol. Its IUPAC name is 2-(4-chloro-2-sulfamoylphenoxy)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(4-chloro-2-sulfamoylphenoxy)-N,N-diethylacetamide
PubChem CID82915390
Molecular FormulaC12H17ClN2O4S
Molecular Weight320.80 g/mol
Exact Mass320.06
IUPAC Name2-(4-chloro-2-sulfamoylphenoxy)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1ccc(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C12H17ClN2O4S/c1-3-15(4-2)12(16)8-19-10-6-5-9(13)7-11(10)20(14,17)18/h5-7H,3-4,8H2,1-2H3,(H2,14,17,18)
InChIKeyCOLAYHGLOMIHFN-UHFFFAOYSA-N
XLogP1.23
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)-4-chlorophenoxy]-N,N-diethylacetamide
CID 43141794
2-(2,3-difluoro-4-sulfamoylphenoxy)-N,N-diethylacetamide
CID 82917581
methyl 2-(4-chloro-2-sulfamoylphenoxy)acetate
CID 70527537
5-chloro-2-(3-ethoxypropoxy)benzenesulfonamide
CID 65180427
5-chloro-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzenesulfonyl chloride
CID 82921083
2-butoxy-5-chlorobenzenesulfonamide
CID 62103523
2-(2,4-dichlorophenoxy)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 79387659
5-chloro-2-[2-(dimethylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82921081
ethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]-ethylamino]acetate
CID 61021135
N,N-diethyl-2-(4-methoxy-3-sulfamoylphenyl)acetamide
CID 65373612
4-[2-(dimethylamino)-2-oxoethoxy]-3-sulfamoylbenzoic acid
CID 82921995
5-chloro-2-[2-(diethylamino)-2-oxoethoxy]-N-phenylbenzamide
CID 7893374

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-sulfamoylphenoxy)-N,N-diethylacetamide?
The IUPAC name of 2-(4-chloro-2-sulfamoylphenoxy)-N,N-diethylacetamide (CID 82915390) is 2-(4-chloro-2-sulfamoylphenoxy)-N,N-diethylacetamide.
What is the SMILES notation for 2-(4-chloro-2-sulfamoylphenoxy)-N,N-diethylacetamide?
The canonical SMILES for 2-(4-chloro-2-sulfamoylphenoxy)-N,N-diethylacetamide is CCN(CC)C(=O)COc1ccc(Cl)cc1S(N)(=O)=O.
What is the InChIKey of 2-(4-chloro-2-sulfamoylphenoxy)-N,N-diethylacetamide?
The InChIKey is COLAYHGLOMIHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O4S/c1-3-15(4-2)12(16)8-19-10-6-5-9(13)7-11(10)20(14,17)18/h5-7H,3-4,8H2,1-2H3,(H2,14,17,18).
What are the key properties of 2-(4-chloro-2-sulfamoylphenoxy)-N,N-diethylacetamide?
2-(4-chloro-2-sulfamoylphenoxy)-N,N-diethylacetamide has a molecular weight of 320.80 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-sulfamoylphenoxy)-N,N-diethylacetamide is sourced from PubChem (CID 82915390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).