5-chloro-3-(cyclobutylmethylsulfamoyl)-2-methoxybenzoic acid

C13H16ClNO5S — CID 43510568

IUPAC5-chloro-3-(cyclobutylmethylsulfamoyl)-2-methoxybenzoic acid
SMILESCOc1c(C(=O)O)cc(Cl)cc1S(=O)(=O)NCC1CCC1
InChIInChI=1S/C13H16ClNO5S/c1-20-12-10(13(16)17)5-9(14)6-11(12)21(18,19)15-7-8-3-2-4-8/h5-6,8,15H,2-4,7H2,1H3,(H,16,17)
InChIKeyVWJXPEHQTOEENW-UHFFFAOYSA-N
MW333.79 g/mol
LogP2.13
Rot. Bonds6

About 5-chloro-3-(cyclobutylmethylsulfamoyl)-2-methoxybenzoic acid

5-chloro-3-(cyclobutylmethylsulfamoyl)-2-methoxybenzoic acid (PubChem CID 43510568) has the molecular formula C13H16ClNO5S and a molecular weight of 333.79 g/mol. Its IUPAC name is 5-chloro-3-(cyclobutylmethylsulfamoyl)-2-methoxybenzoic acid.

Molecular Properties

Compound Name5-chloro-3-(cyclobutylmethylsulfamoyl)-2-methoxybenzoic acid
PubChem CID43510568
Molecular FormulaC13H16ClNO5S
Molecular Weight333.79 g/mol
Exact Mass333.04
IUPAC Name5-chloro-3-(cyclobutylmethylsulfamoyl)-2-methoxybenzoic acid
SMILESCOc1c(C(=O)O)cc(Cl)cc1S(=O)(=O)NCC1CCC1
InChIInChI=1S/C13H16ClNO5S/c1-20-12-10(13(16)17)5-9(14)6-11(12)21(18,19)15-7-8-3-2-4-8/h5-6,8,15H,2-4,7H2,1H3,(H,16,17)
InChIKeyVWJXPEHQTOEENW-UHFFFAOYSA-N
XLogP2.13
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.79
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-3-(cyclobutylmethylsulfamoyl)-2-methoxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-methoxy-N,N-dimethyl-3-(piperidin-3-ylmethylsulfamoyl)benzamide
CID 120893997
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-2-methoxy-3-(2-methylbutan-2-ylsulfamoyl)benzoic acid
CID 43510528
5-chloro-2-methyl-3-(oxolan-3-ylmethylsulfamoyl)benzoic acid
CID 82875290
5-chloro-2-methoxy-3-(2-methylsulfonylethylsulfonyl)benzoic acid
CID 60916346
5-chloro-2-(cyclobutylmethoxy)-3-methoxybenzoic acid
CID 113438811
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzenesulfonamide
CID 100566408
5-chloro-3-[ethyl(methyl)sulfamoyl]-2-methoxybenzoic acid
CID 43510560
5-chloro-2-methoxy-3-(2,2,2-trifluoroethylsulfonyl)benzoic acid
CID 43510587
3-[(3-aminocyclohexyl)sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride
CID 120894182

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(cyclobutylmethylsulfamoyl)-2-methoxybenzoic acid?
The IUPAC name of 5-chloro-3-(cyclobutylmethylsulfamoyl)-2-methoxybenzoic acid (CID 43510568) is 5-chloro-3-(cyclobutylmethylsulfamoyl)-2-methoxybenzoic acid.
What is the SMILES notation for 5-chloro-3-(cyclobutylmethylsulfamoyl)-2-methoxybenzoic acid?
The canonical SMILES for 5-chloro-3-(cyclobutylmethylsulfamoyl)-2-methoxybenzoic acid is COc1c(C(=O)O)cc(Cl)cc1S(=O)(=O)NCC1CCC1.
What is the InChIKey of 5-chloro-3-(cyclobutylmethylsulfamoyl)-2-methoxybenzoic acid?
The InChIKey is VWJXPEHQTOEENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO5S/c1-20-12-10(13(16)17)5-9(14)6-11(12)21(18,19)15-7-8-3-2-4-8/h5-6,8,15H,2-4,7H2,1H3,(H,16,17).
What are the key properties of 5-chloro-3-(cyclobutylmethylsulfamoyl)-2-methoxybenzoic acid?
5-chloro-3-(cyclobutylmethylsulfamoyl)-2-methoxybenzoic acid has a molecular weight of 333.79 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(cyclobutylmethylsulfamoyl)-2-methoxybenzoic acid is sourced from PubChem (CID 43510568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).