5-chloro-2-methoxy-3-(2,2,2-trifluoroethylsulfamoyl)benzoic acid

C10H9ClF3NO5S — CID 43510552

IUPAC5-chloro-2-methoxy-3-(2,2,2-trifluoroethylsulfamoyl)benzoic acid
SMILESCOc1c(C(=O)O)cc(Cl)cc1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C10H9ClF3NO5S/c1-20-8-6(9(16)17)2-5(11)3-7(8)21(18,19)15-4-10(12,13)14/h2-3,15H,4H2,1H3,(H,16,17)
InChIKeyUJCBQIKKUMJVRK-UHFFFAOYSA-N
MW347.70 g/mol
LogP1.89
Rot. Bonds5

About 5-chloro-2-methoxy-3-(2,2,2-trifluoroethylsulfamoyl)benzoic acid

5-chloro-2-methoxy-3-(2,2,2-trifluoroethylsulfamoyl)benzoic acid (PubChem CID 43510552) has the molecular formula C10H9ClF3NO5S and a molecular weight of 347.70 g/mol. Its IUPAC name is 5-chloro-2-methoxy-3-(2,2,2-trifluoroethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-methoxy-3-(2,2,2-trifluoroethylsulfamoyl)benzoic acid
PubChem CID43510552
Molecular FormulaC10H9ClF3NO5S
Molecular Weight347.70 g/mol
Exact Mass346.98
IUPAC Name5-chloro-2-methoxy-3-(2,2,2-trifluoroethylsulfamoyl)benzoic acid
SMILESCOc1c(C(=O)O)cc(Cl)cc1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C10H9ClF3NO5S/c1-20-8-6(9(16)17)2-5(11)3-7(8)21(18,19)15-4-10(12,13)14/h2-3,15H,4H2,1H3,(H,16,17)
InChIKeyUJCBQIKKUMJVRK-UHFFFAOYSA-N
XLogP1.89
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.70
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-methoxy-3-(2,2,2-trifluoroethylsulfonyl)benzoic acid
CID 43510587
5-chloro-2-methoxy-3-(2-methylsulfanylethylsulfamoyl)benzoic acid
CID 43525936
5-chloro-2-methoxy-3-(2-methylbutan-2-ylsulfamoyl)benzoic acid
CID 43510528
5-chloro-3-(2,3-dihydroxypropylsulfamoyl)-2-methoxybenzoic acid
CID 66170370
5-chloro-3-(cyclobutylmethylsulfamoyl)-2-methoxybenzoic acid
CID 43510568
3-[(3-amino-2,2-difluoropropyl)sulfamoyl]-5-chloro-2-methoxy-N,N-dimethylbenzamide
CID 120894173
5-chloro-3-[ethyl(methyl)sulfamoyl]-2-methoxybenzoic acid
CID 43510560
5-chloro-2-methoxy-3-(2-methylsulfonylethylsulfonyl)benzoic acid
CID 60916346
2,5-dichloro-3-(3,3,3-trifluoropropylsulfamoyl)benzoic acid
CID 63225908
5-chloro-2-fluoro-3-[(2-hydroxy-2-methylbutyl)sulfamoyl]benzoic acid
CID 65105646
5-chloro-2-methoxy-3-[1-(methylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid
CID 43510582
5-chloro-2-methoxy-N,N-dimethyl-3-[2-(methylamino)ethylsulfamoyl]benzamide
CID 120894029

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-3-(2,2,2-trifluoroethylsulfamoyl)benzoic acid?
The IUPAC name of 5-chloro-2-methoxy-3-(2,2,2-trifluoroethylsulfamoyl)benzoic acid (CID 43510552) is 5-chloro-2-methoxy-3-(2,2,2-trifluoroethylsulfamoyl)benzoic acid.
What is the SMILES notation for 5-chloro-2-methoxy-3-(2,2,2-trifluoroethylsulfamoyl)benzoic acid?
The canonical SMILES for 5-chloro-2-methoxy-3-(2,2,2-trifluoroethylsulfamoyl)benzoic acid is COc1c(C(=O)O)cc(Cl)cc1S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 5-chloro-2-methoxy-3-(2,2,2-trifluoroethylsulfamoyl)benzoic acid?
The InChIKey is UJCBQIKKUMJVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO5S/c1-20-8-6(9(16)17)2-5(11)3-7(8)21(18,19)15-4-10(12,13)14/h2-3,15H,4H2,1H3,(H,16,17).
What are the key properties of 5-chloro-2-methoxy-3-(2,2,2-trifluoroethylsulfamoyl)benzoic acid?
5-chloro-2-methoxy-3-(2,2,2-trifluoroethylsulfamoyl)benzoic acid has a molecular weight of 347.70 g/mol, XLogP of 1.89, 5 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-(2,2,2-trifluoroethylsulfamoyl)benzoic acid is sourced from PubChem (CID 43510552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).