2-bromo-5-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid

C10H12BrNO5S — CID 107215449

IUPAC2-bromo-5-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid
SMILESC[C@H](CO)NS(=O)(=O)c1ccc(Br)c(C(=O)O)c1
InChIInChI=1S/C10H12BrNO5S/c1-6(5-13)12-18(16,17)7-2-3-9(11)8(4-7)10(14)15/h2-4,6,12-13H,5H2,1H3,(H,14,15)/t6-/m1/s1
InChIKeyWPMQYVJRUHGANT-ZCFIWIBFSA-N
MW338.18 g/mol
LogP0.81
Rot. Bonds5

About 2-bromo-5-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid

2-bromo-5-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid (PubChem CID 107215449) has the molecular formula C10H12BrNO5S and a molecular weight of 338.18 g/mol. Its IUPAC name is 2-bromo-5-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-bromo-5-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid
PubChem CID107215449
Molecular FormulaC10H12BrNO5S
Molecular Weight338.18 g/mol
Exact Mass336.96
IUPAC Name2-bromo-5-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid
SMILESC[C@H](CO)NS(=O)(=O)c1ccc(Br)c(C(=O)O)c1
InChIInChI=1S/C10H12BrNO5S/c1-6(5-13)12-18(16,17)7-2-3-9(11)8(4-7)10(14)15/h2-4,6,12-13H,5H2,1H3,(H,14,15)/t6-/m1/s1
InChIKeyWPMQYVJRUHGANT-ZCFIWIBFSA-N
XLogP0.81
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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5-(1-hydroxypropan-2-ylsulfamoyl)-2-propoxybenzoic acid
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3-bromo-4-chloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 106546351
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2-bromo-5-(3-methylbutylsulfamoyl)benzoic acid
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2-bromo-5-(hydroxysulfamoyl)benzoic acid
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5-(4-hydroxybutan-2-ylsulfamoyl)-2-methylbenzoic acid
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2-bromo-5-(5-methylhexylsulfamoyl)benzoic acid
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2-bromo-5-[[4-(2-methylpropanoylamino)phenyl]sulfamoyl]benzoic acid
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CID 43420745
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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid?
The IUPAC name of 2-bromo-5-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid (CID 107215449) is 2-bromo-5-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid.
What is the SMILES notation for 2-bromo-5-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid?
The canonical SMILES for 2-bromo-5-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid is C[C@H](CO)NS(=O)(=O)c1ccc(Br)c(C(=O)O)c1.
What is the InChIKey of 2-bromo-5-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid?
The InChIKey is WPMQYVJRUHGANT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H12BrNO5S/c1-6(5-13)12-18(16,17)7-2-3-9(11)8(4-7)10(14)15/h2-4,6,12-13H,5H2,1H3,(H,14,15)/t6-/m1/s1.
What are the key properties of 2-bromo-5-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid?
2-bromo-5-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid has a molecular weight of 338.18 g/mol, XLogP of 0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid is sourced from PubChem (CID 107215449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).