2,6-difluoro-3-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]benzoic acid

C11H13F2NO6S — CID 106185831

IUPAC2,6-difluoro-3-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]benzoic acid
SMILESCOCC(CO)NS(=O)(=O)c1ccc(F)c(C(=O)O)c1F
InChIInChI=1S/C11H13F2NO6S/c1-20-5-6(4-15)14-21(18,19)8-3-2-7(12)9(10(8)13)11(16)17/h2-3,6,14-15H,4-5H2,1H3,(H,16,17)
InChIKeyHSRFHKAJJDYEEU-UHFFFAOYSA-N
MW325.29 g/mol
LogP-0.05
Rot. Bonds7

About 2,6-difluoro-3-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]benzoic acid

2,6-difluoro-3-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]benzoic acid (PubChem CID 106185831) has the molecular formula C11H13F2NO6S and a molecular weight of 325.29 g/mol. Its IUPAC name is 2,6-difluoro-3-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2,6-difluoro-3-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]benzoic acid
PubChem CID106185831
Molecular FormulaC11H13F2NO6S
Molecular Weight325.29 g/mol
Exact Mass325.04
IUPAC Name2,6-difluoro-3-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]benzoic acid
SMILESCOCC(CO)NS(=O)(=O)c1ccc(F)c(C(=O)O)c1F
InChIInChI=1S/C11H13F2NO6S/c1-20-5-6(4-15)14-21(18,19)8-3-2-7(12)9(10(8)13)11(16)17/h2-3,6,14-15H,4-5H2,1H3,(H,16,17)
InChIKeyHSRFHKAJJDYEEU-UHFFFAOYSA-N
XLogP-0.05
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2,4-difluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
CID 106181976
2,6-difluoro-3-(hexan-2-ylsulfamoyl)benzoic acid
CID 62199651
2,6-difluoro-3-(2-methoxypropylsulfonyl)benzoic acid
CID 113382849
3-(2,3-dihydroxypropylsulfonyl)-2,6-difluorobenzoic acid
CID 82851072
2-chloro-5-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]benzoic acid
CID 106185797
5-amino-4-bromo-2-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
CID 106181683
4-fluoro-N-(1-hydroxy-3-methoxypropan-2-yl)-2-nitrobenzenesulfonamide
CID 106184824
3-(2,2-difluoroethylsulfonyl)-2,6-difluorobenzoic acid
CID 54939186
3,4-difluoro-5-(1-methoxybutan-2-ylsulfamoyl)benzoic acid
CID 104654423
4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
CID 114094501
4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methoxybenzenesulfonamide
CID 106181722
2-amino-4-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)benzenesulfonamide
CID 106181731

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]benzoic acid?
The IUPAC name of 2,6-difluoro-3-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]benzoic acid (CID 106185831) is 2,6-difluoro-3-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2,6-difluoro-3-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 2,6-difluoro-3-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]benzoic acid is COCC(CO)NS(=O)(=O)c1ccc(F)c(C(=O)O)c1F.
What is the InChIKey of 2,6-difluoro-3-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]benzoic acid?
The InChIKey is HSRFHKAJJDYEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO6S/c1-20-5-6(4-15)14-21(18,19)8-3-2-7(12)9(10(8)13)11(16)17/h2-3,6,14-15H,4-5H2,1H3,(H,16,17).
What are the key properties of 2,6-difluoro-3-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]benzoic acid?
2,6-difluoro-3-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]benzoic acid has a molecular weight of 325.29 g/mol, XLogP of -0.05, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-[(1-hydroxy-3-methoxypropan-2-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 106185831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).