2,6-dichloro-3-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid

C11H12Cl2N2O5S — CID 61066776

IUPAC2,6-dichloro-3-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid
SMILESCNC(=O)C(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1Cl
InChIInChI=1S/C11H12Cl2N2O5S/c1-5(10(16)14-2)15-21(19,20)7-4-3-6(12)8(9(7)13)11(17)18/h3-5,15H,1-2H3,(H,14,16)(H,17,18)
InChIKeyLQYXUQWAJZWBFF-UHFFFAOYSA-N
MW355.20 g/mol
LogP1.10
Rot. Bonds5

About 2,6-dichloro-3-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid

2,6-dichloro-3-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid (PubChem CID 61066776) has the molecular formula C11H12Cl2N2O5S and a molecular weight of 355.20 g/mol. Its IUPAC name is 2,6-dichloro-3-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2,6-dichloro-3-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid
PubChem CID61066776
Molecular FormulaC11H12Cl2N2O5S
Molecular Weight355.20 g/mol
Exact Mass353.98
IUPAC Name2,6-dichloro-3-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid
SMILESCNC(=O)C(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1Cl
InChIInChI=1S/C11H12Cl2N2O5S/c1-5(10(16)14-2)15-21(19,20)7-4-3-6(12)8(9(7)13)11(17)18/h3-5,15H,1-2H3,(H,14,16)(H,17,18)
InChIKeyLQYXUQWAJZWBFF-UHFFFAOYSA-N
XLogP1.10
TPSA112.57 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 ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloro-3-(pentan-3-ylsulfamoyl)benzoic acid
CID 29030781
2,6-dichloro-3-(2-hydroxypropylsulfamoyl)benzoic acid
CID 43499058
3-(tert-butylsulfamoyl)-2,6-dichlorobenzoic acid
CID 16771513
2,6-dichloro-3-(2-cyanopropylsulfamoyl)benzoic acid
CID 62668420
3-[(1-amino-2-methyl-1-oxopropan-2-yl)sulfamoyl]-2,6-dichlorobenzoic acid
CID 61218847
2,6-dichloro-3-[1-(ethylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid
CID 43140748
2,6-dichloro-3-(2-hydroxypropylsulfonyl)benzoic acid
CID 65277506
4-fluoro-3-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid
CID 61067117
(2S)-2-[(2,4-dichloro-3-nitrophenyl)sulfonylamino]propanoic acid
CID 104861899
2,6-dichloro-3-(cyclopentylmethylsulfamoyl)benzoic acid
CID 43317193
2-[[4-(3-aminoprop-1-ynyl)-2-chlorophenyl]sulfonylamino]-N-methylpropanamide
CID 61466088
2-[(3-amino-2,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 107343391

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid?
The IUPAC name of 2,6-dichloro-3-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid (CID 61066776) is 2,6-dichloro-3-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid.
What is the SMILES notation for 2,6-dichloro-3-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid?
The canonical SMILES for 2,6-dichloro-3-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid is CNC(=O)C(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1Cl.
What is the InChIKey of 2,6-dichloro-3-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid?
The InChIKey is LQYXUQWAJZWBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O5S/c1-5(10(16)14-2)15-21(19,20)7-4-3-6(12)8(9(7)13)11(17)18/h3-5,15H,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 2,6-dichloro-3-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid?
2,6-dichloro-3-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid has a molecular weight of 355.20 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid is sourced from PubChem (CID 61066776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).