5-chloro-3-[ethyl(methyl)sulfamoyl]-2-methoxybenzoic acid

C11H14ClNO5S — CID 43510560

IUPAC5-chloro-3-[ethyl(methyl)sulfamoyl]-2-methoxybenzoic acid
SMILESCCN(C)S(=O)(=O)c1cc(Cl)cc(C(=O)O)c1OC
InChIInChI=1S/C11H14ClNO5S/c1-4-13(2)19(16,17)9-6-7(12)5-8(11(14)15)10(9)18-3/h5-6H,4H2,1-3H3,(H,14,15)
InChIKeyIDLDRRDOSBHGII-UHFFFAOYSA-N
MW307.76 g/mol
LogP1.69
Rot. Bonds5

About 5-chloro-3-[ethyl(methyl)sulfamoyl]-2-methoxybenzoic acid

5-chloro-3-[ethyl(methyl)sulfamoyl]-2-methoxybenzoic acid (PubChem CID 43510560) has the molecular formula C11H14ClNO5S and a molecular weight of 307.76 g/mol. Its IUPAC name is 5-chloro-3-[ethyl(methyl)sulfamoyl]-2-methoxybenzoic acid.

Molecular Properties

Compound Name5-chloro-3-[ethyl(methyl)sulfamoyl]-2-methoxybenzoic acid
PubChem CID43510560
Molecular FormulaC11H14ClNO5S
Molecular Weight307.76 g/mol
Exact Mass307.03
IUPAC Name5-chloro-3-[ethyl(methyl)sulfamoyl]-2-methoxybenzoic acid
SMILESCCN(C)S(=O)(=O)c1cc(Cl)cc(C(=O)O)c1OC
InChIInChI=1S/C11H14ClNO5S/c1-4-13(2)19(16,17)9-6-7(12)5-8(11(14)15)10(9)18-3/h5-6H,4H2,1-3H3,(H,14,15)
InChIKeyIDLDRRDOSBHGII-UHFFFAOYSA-N
XLogP1.69
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-methoxy-3-[methyl(2-methylsulfanylethyl)sulfamoyl]benzoic acid
CID 115985481
5-chloro-2-methoxy-3-(2,2,2-trifluoroethylsulfonyl)benzoic acid
CID 43510587
3-[[5-chloro-2-methoxy-3-(methylcarbamoyl)phenyl]sulfonyl-methylamino]propanoic acid
CID 120968912
5-chloro-2-methoxy-3-(2-methylsulfonylethylsulfonyl)benzoic acid
CID 60916346
5-chloro-2-methoxy-3-(2-methylbutan-2-ylsulfamoyl)benzoic acid
CID 43510528
5-chloro-2-methoxy-3-(2,2,2-trifluoroethylsulfamoyl)benzoic acid
CID 43510552
5-chloro-3-(dimethylamino)-2-methoxybenzoic acid
CID 10728138
3-[butyl(methyl)sulfamoyl]-5-chloro-2-methylbenzoic acid
CID 82883566
5-chloro-2-methoxy-3-(2-methylsulfanylethylsulfamoyl)benzoic acid
CID 43525936
5-chloro-3-(cyclobutylmethylsulfamoyl)-2-methoxybenzoic acid
CID 43510568
5-chloro-2-methoxy-3-(thiophen-3-ylmethylsulfonyl)benzoic acid
CID 43646414
5-chloro-3-(2,3-dihydroxypropylsulfamoyl)-2-methoxybenzoic acid
CID 66170370

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[ethyl(methyl)sulfamoyl]-2-methoxybenzoic acid?
The IUPAC name of 5-chloro-3-[ethyl(methyl)sulfamoyl]-2-methoxybenzoic acid (CID 43510560) is 5-chloro-3-[ethyl(methyl)sulfamoyl]-2-methoxybenzoic acid.
What is the SMILES notation for 5-chloro-3-[ethyl(methyl)sulfamoyl]-2-methoxybenzoic acid?
The canonical SMILES for 5-chloro-3-[ethyl(methyl)sulfamoyl]-2-methoxybenzoic acid is CCN(C)S(=O)(=O)c1cc(Cl)cc(C(=O)O)c1OC.
What is the InChIKey of 5-chloro-3-[ethyl(methyl)sulfamoyl]-2-methoxybenzoic acid?
The InChIKey is IDLDRRDOSBHGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO5S/c1-4-13(2)19(16,17)9-6-7(12)5-8(11(14)15)10(9)18-3/h5-6H,4H2,1-3H3,(H,14,15).
What are the key properties of 5-chloro-3-[ethyl(methyl)sulfamoyl]-2-methoxybenzoic acid?
5-chloro-3-[ethyl(methyl)sulfamoyl]-2-methoxybenzoic acid has a molecular weight of 307.76 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[ethyl(methyl)sulfamoyl]-2-methoxybenzoic acid is sourced from PubChem (CID 43510560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).