3-[(1-amino-2-methyl-1-oxopropan-2-yl)sulfamoyl]-2,6-dichlorobenzoic acid

C11H12Cl2N2O5S — CID 61218847

IUPAC3-[(1-amino-2-methyl-1-oxopropan-2-yl)sulfamoyl]-2,6-dichlorobenzoic acid
SMILESCC(C)(NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1Cl)C(N)=O
InChIInChI=1S/C11H12Cl2N2O5S/c1-11(2,10(14)18)15-21(19,20)6-4-3-5(12)7(8(6)13)9(16)17/h3-4,15H,1-2H3,(H2,14,18)(H,16,17)
InChIKeyAFQZYVHEBABYNR-UHFFFAOYSA-N
MW355.20 g/mol
LogP1.23
Rot. Bonds5

About 3-[(1-amino-2-methyl-1-oxopropan-2-yl)sulfamoyl]-2,6-dichlorobenzoic acid

3-[(1-amino-2-methyl-1-oxopropan-2-yl)sulfamoyl]-2,6-dichlorobenzoic acid (PubChem CID 61218847) has the molecular formula C11H12Cl2N2O5S and a molecular weight of 355.20 g/mol. Its IUPAC name is 3-[(1-amino-2-methyl-1-oxopropan-2-yl)sulfamoyl]-2,6-dichlorobenzoic acid.

Molecular Properties

Compound Name3-[(1-amino-2-methyl-1-oxopropan-2-yl)sulfamoyl]-2,6-dichlorobenzoic acid
PubChem CID61218847
Molecular FormulaC11H12Cl2N2O5S
Molecular Weight355.20 g/mol
Exact Mass353.98
IUPAC Name3-[(1-amino-2-methyl-1-oxopropan-2-yl)sulfamoyl]-2,6-dichlorobenzoic acid
SMILESCC(C)(NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1Cl)C(N)=O
InChIInChI=1S/C11H12Cl2N2O5S/c1-11(2,10(14)18)15-21(19,20)6-4-3-5(12)7(8(6)13)9(16)17/h3-4,15H,1-2H3,(H2,14,18)(H,16,17)
InChIKeyAFQZYVHEBABYNR-UHFFFAOYSA-N
XLogP1.23
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(tert-butylsulfamoyl)-2,6-dichlorobenzoic acid
CID 16771513
2,6-dichloro-3-(pentan-3-ylsulfamoyl)benzoic acid
CID 29030781
2,6-dichloro-3-(2-hydroxypropylsulfamoyl)benzoic acid
CID 43499058
2,6-dichloro-3-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid
CID 61066776
2,6-dichloro-3-(2-cyanopropylsulfamoyl)benzoic acid
CID 62668420
2,6-dichloro-3-(5-hydroxypentylsulfamoyl)benzoic acid
CID 107316637
3-[butan-2-yl(ethyl)sulfamoyl]-2,6-dichlorobenzoic acid
CID 43274410
2,6-dichloro-3-(cyclopentylmethylsulfamoyl)benzoic acid
CID 43317193
2,6-dichloro-3-[(5-methyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid
CID 63821892
2,6-dichloro-3-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]benzoic acid
CID 115942987
2,6-dichloro-3-(2-hydroxypropylsulfonyl)benzoic acid
CID 65277506
2,6-dichloro-3-[ethyl(methyl)sulfamoyl]benzoic acid
CID 43263300

Frequently Asked Questions

What is the IUPAC name of 3-[(1-amino-2-methyl-1-oxopropan-2-yl)sulfamoyl]-2,6-dichlorobenzoic acid?
The IUPAC name of 3-[(1-amino-2-methyl-1-oxopropan-2-yl)sulfamoyl]-2,6-dichlorobenzoic acid (CID 61218847) is 3-[(1-amino-2-methyl-1-oxopropan-2-yl)sulfamoyl]-2,6-dichlorobenzoic acid.
What is the SMILES notation for 3-[(1-amino-2-methyl-1-oxopropan-2-yl)sulfamoyl]-2,6-dichlorobenzoic acid?
The canonical SMILES for 3-[(1-amino-2-methyl-1-oxopropan-2-yl)sulfamoyl]-2,6-dichlorobenzoic acid is CC(C)(NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1Cl)C(N)=O.
What is the InChIKey of 3-[(1-amino-2-methyl-1-oxopropan-2-yl)sulfamoyl]-2,6-dichlorobenzoic acid?
The InChIKey is AFQZYVHEBABYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O5S/c1-11(2,10(14)18)15-21(19,20)6-4-3-5(12)7(8(6)13)9(16)17/h3-4,15H,1-2H3,(H2,14,18)(H,16,17).
What are the key properties of 3-[(1-amino-2-methyl-1-oxopropan-2-yl)sulfamoyl]-2,6-dichlorobenzoic acid?
3-[(1-amino-2-methyl-1-oxopropan-2-yl)sulfamoyl]-2,6-dichlorobenzoic acid has a molecular weight of 355.20 g/mol, XLogP of 1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-amino-2-methyl-1-oxopropan-2-yl)sulfamoyl]-2,6-dichlorobenzoic acid is sourced from PubChem (CID 61218847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).