2-(2,3-dichloro-4-sulfamoylphenoxy)-N-methylacetamide

C9H10Cl2N2O4S — CID 82911048

IUPAC2-(2,3-dichloro-4-sulfamoylphenoxy)-N-methylacetamide
SMILESCNC(=O)COc1ccc(S(N)(=O)=O)c(Cl)c1Cl
InChIInChI=1S/C9H10Cl2N2O4S/c1-13-7(14)4-17-5-2-3-6(18(12,15)16)9(11)8(5)10/h2-3H,4H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeyIQDYHDATNDEARQ-UHFFFAOYSA-N
MW313.16 g/mol
LogP0.77
Rot. Bonds4

About 2-(2,3-dichloro-4-sulfamoylphenoxy)-N-methylacetamide

2-(2,3-dichloro-4-sulfamoylphenoxy)-N-methylacetamide (PubChem CID 82911048) has the molecular formula C9H10Cl2N2O4S and a molecular weight of 313.16 g/mol. Its IUPAC name is 2-(2,3-dichloro-4-sulfamoylphenoxy)-N-methylacetamide.

Molecular Properties

Compound Name2-(2,3-dichloro-4-sulfamoylphenoxy)-N-methylacetamide
PubChem CID82911048
Molecular FormulaC9H10Cl2N2O4S
Molecular Weight313.16 g/mol
Exact Mass311.97
IUPAC Name2-(2,3-dichloro-4-sulfamoylphenoxy)-N-methylacetamide
SMILESCNC(=O)COc1ccc(S(N)(=O)=O)c(Cl)c1Cl
InChIInChI=1S/C9H10Cl2N2O4S/c1-13-7(14)4-17-5-2-3-6(18(12,15)16)9(11)8(5)10/h2-3H,4H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeyIQDYHDATNDEARQ-UHFFFAOYSA-N
XLogP0.77
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-dichloro-4-sulfamoylphenoxy)-2-methylpropanamide
CID 82913410
2,3-dichloro-4-(3-methylsulfonylpropoxy)benzenesulfonamide
CID 63191807
2,3-dichloro-4-(3-ethylsulfonylpropoxy)benzenesulfonamide
CID 65098440
4-but-2-ynoxy-2,3-dichlorobenzenesulfonamide
CID 82912289
2-[2-chloro-4-[[5-methyl-2-(4-methyl-3-sulfamoylanilino)pyrimidin-4-yl]amino]phenoxy]-N-methylacetamide
CID 68873994
2-(2,3-difluoro-4-sulfamoylphenoxy)-N-ethylacetamide
CID 82914724
2,3-dichloro-4-[(4-chlorophenyl)methoxy]benzenesulfonamide
CID 43342544
2,3-dichloro-4-phenylmethoxybenzenesulfonamide
CID 43164582
2,3-dichloro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide
CID 107915004
methyl 2-(4-chloro-2-sulfamoylphenoxy)acetate
CID 70527537
2-(2,5-dichloro-4-sulfamoylphenoxy)-N-ethylacetamide
CID 82913877
2,3-dichloro-4-(3-cyano-3-methylbutoxy)benzenesulfonamide
CID 82913408

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloro-4-sulfamoylphenoxy)-N-methylacetamide?
The IUPAC name of 2-(2,3-dichloro-4-sulfamoylphenoxy)-N-methylacetamide (CID 82911048) is 2-(2,3-dichloro-4-sulfamoylphenoxy)-N-methylacetamide.
What is the SMILES notation for 2-(2,3-dichloro-4-sulfamoylphenoxy)-N-methylacetamide?
The canonical SMILES for 2-(2,3-dichloro-4-sulfamoylphenoxy)-N-methylacetamide is CNC(=O)COc1ccc(S(N)(=O)=O)c(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichloro-4-sulfamoylphenoxy)-N-methylacetamide?
The InChIKey is IQDYHDATNDEARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O4S/c1-13-7(14)4-17-5-2-3-6(18(12,15)16)9(11)8(5)10/h2-3H,4H2,1H3,(H,13,14)(H2,12,15,16).
What are the key properties of 2-(2,3-dichloro-4-sulfamoylphenoxy)-N-methylacetamide?
2-(2,3-dichloro-4-sulfamoylphenoxy)-N-methylacetamide has a molecular weight of 313.16 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloro-4-sulfamoylphenoxy)-N-methylacetamide is sourced from PubChem (CID 82911048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).