3-(2,3-dichloro-4-sulfamoylphenoxy)-2-methylpropanamide

C10H12Cl2N2O4S — CID 82913410

IUPAC3-(2,3-dichloro-4-sulfamoylphenoxy)-2-methylpropanamide
SMILESCC(COc1ccc(S(N)(=O)=O)c(Cl)c1Cl)C(N)=O
InChIInChI=1S/C10H12Cl2N2O4S/c1-5(10(13)15)4-18-6-2-3-7(19(14,16)17)9(12)8(6)11/h2-3,5H,4H2,1H3,(H2,13,15)(H2,14,16,17)
InChIKeyBVDCLAOSNCZRBQ-UHFFFAOYSA-N
MW327.19 g/mol
LogP1.14
Rot. Bonds5

About 3-(2,3-dichloro-4-sulfamoylphenoxy)-2-methylpropanamide

3-(2,3-dichloro-4-sulfamoylphenoxy)-2-methylpropanamide (PubChem CID 82913410) has the molecular formula C10H12Cl2N2O4S and a molecular weight of 327.19 g/mol. Its IUPAC name is 3-(2,3-dichloro-4-sulfamoylphenoxy)-2-methylpropanamide.

Molecular Properties

Compound Name3-(2,3-dichloro-4-sulfamoylphenoxy)-2-methylpropanamide
PubChem CID82913410
Molecular FormulaC10H12Cl2N2O4S
Molecular Weight327.19 g/mol
Exact Mass325.99
IUPAC Name3-(2,3-dichloro-4-sulfamoylphenoxy)-2-methylpropanamide
SMILESCC(COc1ccc(S(N)(=O)=O)c(Cl)c1Cl)C(N)=O
InChIInChI=1S/C10H12Cl2N2O4S/c1-5(10(13)15)4-18-6-2-3-7(19(14,16)17)9(12)8(6)11/h2-3,5H,4H2,1H3,(H2,13,15)(H2,14,16,17)
InChIKeyBVDCLAOSNCZRBQ-UHFFFAOYSA-N
XLogP1.14
TPSA112.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dichloro-4-sulfamoylphenoxy)-N-methylacetamide
CID 82911048
4-(3-amino-2-methyl-3-oxopropoxy)-3-chlorobenzenesulfonyl chloride
CID 82917070
2-(3-amino-2-methyl-3-oxopropoxy)-5-sulfamoylbenzoic acid
CID 82921997
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
3-(2-hydroxyphenoxy)-2-methylpropanamide
CID 43312348
4-(3-amino-2-methyl-3-oxopropoxy)-3-chlorosulfonylbenzoic acid
CID 82910320
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
4-(3-amino-2-methyl-3-oxopropoxy)-2,5-dimethylbenzenesulfonyl chloride
CID 82910628

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichloro-4-sulfamoylphenoxy)-2-methylpropanamide?
The IUPAC name of 3-(2,3-dichloro-4-sulfamoylphenoxy)-2-methylpropanamide (CID 82913410) is 3-(2,3-dichloro-4-sulfamoylphenoxy)-2-methylpropanamide.
What is the SMILES notation for 3-(2,3-dichloro-4-sulfamoylphenoxy)-2-methylpropanamide?
The canonical SMILES for 3-(2,3-dichloro-4-sulfamoylphenoxy)-2-methylpropanamide is CC(COc1ccc(S(N)(=O)=O)c(Cl)c1Cl)C(N)=O.
What is the InChIKey of 3-(2,3-dichloro-4-sulfamoylphenoxy)-2-methylpropanamide?
The InChIKey is BVDCLAOSNCZRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O4S/c1-5(10(13)15)4-18-6-2-3-7(19(14,16)17)9(12)8(6)11/h2-3,5H,4H2,1H3,(H2,13,15)(H2,14,16,17).
What are the key properties of 3-(2,3-dichloro-4-sulfamoylphenoxy)-2-methylpropanamide?
3-(2,3-dichloro-4-sulfamoylphenoxy)-2-methylpropanamide has a molecular weight of 327.19 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichloro-4-sulfamoylphenoxy)-2-methylpropanamide is sourced from PubChem (CID 82913410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).