5-chloro-2-methoxy-3-(2-methylbutan-2-ylsulfamoyl)benzoic acid

C13H18ClNO5S — CID 43510528

IUPAC5-chloro-2-methoxy-3-(2-methylbutan-2-ylsulfamoyl)benzoic acid
SMILESCCC(C)(C)NS(=O)(=O)c1cc(Cl)cc(C(=O)O)c1OC
InChIInChI=1S/C13H18ClNO5S/c1-5-13(2,3)15-21(18,19)10-7-8(14)6-9(12(16)17)11(10)20-4/h6-7,15H,5H2,1-4H3,(H,16,17)
InChIKeyYQPLEXCCSWAHHS-UHFFFAOYSA-N
MW335.81 g/mol
LogP2.51
Rot. Bonds6

About 5-chloro-2-methoxy-3-(2-methylbutan-2-ylsulfamoyl)benzoic acid

5-chloro-2-methoxy-3-(2-methylbutan-2-ylsulfamoyl)benzoic acid (PubChem CID 43510528) has the molecular formula C13H18ClNO5S and a molecular weight of 335.81 g/mol. Its IUPAC name is 5-chloro-2-methoxy-3-(2-methylbutan-2-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-methoxy-3-(2-methylbutan-2-ylsulfamoyl)benzoic acid
PubChem CID43510528
Molecular FormulaC13H18ClNO5S
Molecular Weight335.81 g/mol
Exact Mass335.06
IUPAC Name5-chloro-2-methoxy-3-(2-methylbutan-2-ylsulfamoyl)benzoic acid
SMILESCCC(C)(C)NS(=O)(=O)c1cc(Cl)cc(C(=O)O)c1OC
InChIInChI=1S/C13H18ClNO5S/c1-5-13(2,3)15-21(18,19)10-7-8(14)6-9(12(16)17)11(10)20-4/h6-7,15H,5H2,1-4H3,(H,16,17)
InChIKeyYQPLEXCCSWAHHS-UHFFFAOYSA-N
XLogP2.51
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-methoxy-3-(2,2,2-trifluoroethylsulfamoyl)benzoic acid
CID 43510552
5-chloro-2-methoxy-3-(2-methylsulfanylethylsulfamoyl)benzoic acid
CID 43525936
5-chloro-3-(2,3-dihydroxypropylsulfamoyl)-2-methoxybenzoic acid
CID 66170370
5-chloro-3-(cyclobutylmethylsulfamoyl)-2-methoxybenzoic acid
CID 43510568
5-chloro-3-[ethyl(methyl)sulfamoyl]-2-methoxybenzoic acid
CID 43510560
5-chloro-2-methoxy-3-(2,2,2-trifluoroethylsulfonyl)benzoic acid
CID 43510587
5-chloro-2-methoxy-3-(2-methylsulfonylethylsulfonyl)benzoic acid
CID 60916346
5-chloro-2-methoxy-3-[1-(methylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid
CID 43510582
5-chloro-2-methoxy-3-(thiophen-3-ylmethylsulfonyl)benzoic acid
CID 43646414
4-fluoro-3-(2-methylbutan-2-ylsulfamoyl)benzoic acid
CID 30056496
5-chloro-2-methoxy-3-[methyl(2-methylsulfanylethyl)sulfamoyl]benzoic acid
CID 115985481
2-[(5-chloro-2-methoxy-3-methoxycarbonylphenyl)sulfonylamino]propanoic acid
CID 122068063

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-3-(2-methylbutan-2-ylsulfamoyl)benzoic acid?
The IUPAC name of 5-chloro-2-methoxy-3-(2-methylbutan-2-ylsulfamoyl)benzoic acid (CID 43510528) is 5-chloro-2-methoxy-3-(2-methylbutan-2-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 5-chloro-2-methoxy-3-(2-methylbutan-2-ylsulfamoyl)benzoic acid?
The canonical SMILES for 5-chloro-2-methoxy-3-(2-methylbutan-2-ylsulfamoyl)benzoic acid is CCC(C)(C)NS(=O)(=O)c1cc(Cl)cc(C(=O)O)c1OC.
What is the InChIKey of 5-chloro-2-methoxy-3-(2-methylbutan-2-ylsulfamoyl)benzoic acid?
The InChIKey is YQPLEXCCSWAHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO5S/c1-5-13(2,3)15-21(18,19)10-7-8(14)6-9(12(16)17)11(10)20-4/h6-7,15H,5H2,1-4H3,(H,16,17).
What are the key properties of 5-chloro-2-methoxy-3-(2-methylbutan-2-ylsulfamoyl)benzoic acid?
5-chloro-2-methoxy-3-(2-methylbutan-2-ylsulfamoyl)benzoic acid has a molecular weight of 335.81 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-3-(2-methylbutan-2-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 43510528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).