5-chloro-3-(2,3-dihydroxypropylsulfamoyl)-2-methoxybenzoic acid

C11H14ClNO7S — CID 66170370

IUPAC5-chloro-3-(2,3-dihydroxypropylsulfamoyl)-2-methoxybenzoic acid
SMILESCOc1c(C(=O)O)cc(Cl)cc1S(=O)(=O)NCC(O)CO
InChIInChI=1S/C11H14ClNO7S/c1-20-10-8(11(16)17)2-6(12)3-9(10)21(18,19)13-4-7(15)5-14/h2-3,7,13-15H,4-5H2,1H3,(H,16,17)
InChIKeyBFTHIJVSWIRFKE-UHFFFAOYSA-N
MW339.75 g/mol
LogP-0.32
Rot. Bonds7

About 5-chloro-3-(2,3-dihydroxypropylsulfamoyl)-2-methoxybenzoic acid

5-chloro-3-(2,3-dihydroxypropylsulfamoyl)-2-methoxybenzoic acid (PubChem CID 66170370) has the molecular formula C11H14ClNO7S and a molecular weight of 339.75 g/mol. Its IUPAC name is 5-chloro-3-(2,3-dihydroxypropylsulfamoyl)-2-methoxybenzoic acid.

Molecular Properties

Compound Name5-chloro-3-(2,3-dihydroxypropylsulfamoyl)-2-methoxybenzoic acid
PubChem CID66170370
Molecular FormulaC11H14ClNO7S
Molecular Weight339.75 g/mol
Exact Mass339.02
IUPAC Name5-chloro-3-(2,3-dihydroxypropylsulfamoyl)-2-methoxybenzoic acid
SMILESCOc1c(C(=O)O)cc(Cl)cc1S(=O)(=O)NCC(O)CO
InChIInChI=1S/C11H14ClNO7S/c1-20-10-8(11(16)17)2-6(12)3-9(10)21(18,19)13-4-7(15)5-14/h2-3,7,13-15H,4-5H2,1H3,(H,16,17)
InChIKeyBFTHIJVSWIRFKE-UHFFFAOYSA-N
XLogP-0.32
TPSA133.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.75
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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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-(cyclobutylmethylsulfamoyl)-2-methoxybenzoic acid
CID 43510568
2,4-dichloro-5-(2,3-dihydroxypropylsulfamoyl)benzoic acid
CID 66170591
5-chloro-2-methoxy-3-(2-methylbutan-2-ylsulfamoyl)benzoic acid
CID 43510528
5-chloro-3-(hydroxymethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide
CID 102701324
5-chloro-3-(2,2-dimethoxyethylsulfamoyl)-2-fluorobenzoic acid
CID 79538524
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
2-[(5-chloro-2-methoxy-3-methoxycarbonylphenyl)sulfonylamino]propanoic acid
CID 122068063
5-chloro-3-[ethyl(methyl)sulfamoyl]-2-methoxybenzoic acid
CID 43510560
5-chloro-2-methoxy-3-(2,2,2-trifluoroethylsulfonyl)benzoic acid
CID 43510587

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2,3-dihydroxypropylsulfamoyl)-2-methoxybenzoic acid?
The IUPAC name of 5-chloro-3-(2,3-dihydroxypropylsulfamoyl)-2-methoxybenzoic acid (CID 66170370) is 5-chloro-3-(2,3-dihydroxypropylsulfamoyl)-2-methoxybenzoic acid.
What is the SMILES notation for 5-chloro-3-(2,3-dihydroxypropylsulfamoyl)-2-methoxybenzoic acid?
The canonical SMILES for 5-chloro-3-(2,3-dihydroxypropylsulfamoyl)-2-methoxybenzoic acid is COc1c(C(=O)O)cc(Cl)cc1S(=O)(=O)NCC(O)CO.
What is the InChIKey of 5-chloro-3-(2,3-dihydroxypropylsulfamoyl)-2-methoxybenzoic acid?
The InChIKey is BFTHIJVSWIRFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO7S/c1-20-10-8(11(16)17)2-6(12)3-9(10)21(18,19)13-4-7(15)5-14/h2-3,7,13-15H,4-5H2,1H3,(H,16,17).
What are the key properties of 5-chloro-3-(2,3-dihydroxypropylsulfamoyl)-2-methoxybenzoic acid?
5-chloro-3-(2,3-dihydroxypropylsulfamoyl)-2-methoxybenzoic acid has a molecular weight of 339.75 g/mol, XLogP of -0.32, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2,3-dihydroxypropylsulfamoyl)-2-methoxybenzoic acid is sourced from PubChem (CID 66170370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).