5-bromo-2-fluoro-3-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid

C10H11BrFNO5S — CID 107215547

IUPAC5-bromo-2-fluoro-3-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid
SMILESC[C@@H](CO)NS(=O)(=O)c1cc(Br)cc(C(=O)O)c1F
InChIInChI=1S/C10H11BrFNO5S/c1-5(4-14)13-19(17,18)8-3-6(11)2-7(9(8)12)10(15)16/h2-3,5,13-14H,4H2,1H3,(H,15,16)/t5-/m0/s1
InChIKeyBBOMRJVYSHGRQT-YFKPBYRVSA-N
MW356.17 g/mol
LogP0.95
Rot. Bonds5

About 5-bromo-2-fluoro-3-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid

5-bromo-2-fluoro-3-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid (PubChem CID 107215547) has the molecular formula C10H11BrFNO5S and a molecular weight of 356.17 g/mol. Its IUPAC name is 5-bromo-2-fluoro-3-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name5-bromo-2-fluoro-3-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid
PubChem CID107215547
Molecular FormulaC10H11BrFNO5S
Molecular Weight356.17 g/mol
Exact Mass354.95
IUPAC Name5-bromo-2-fluoro-3-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid
SMILESC[C@@H](CO)NS(=O)(=O)c1cc(Br)cc(C(=O)O)c1F
InChIInChI=1S/C10H11BrFNO5S/c1-5(4-14)13-19(17,18)8-3-6(11)2-7(9(8)12)10(15)16/h2-3,5,13-14H,4H2,1H3,(H,15,16)/t5-/m0/s1
InChIKeyBBOMRJVYSHGRQT-YFKPBYRVSA-N
XLogP0.95
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.17
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-fluoro-3-(4-methoxybutan-2-ylsulfamoyl)benzoic acid
CID 64604819
5-bromo-2-fluoro-3-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]benzoic acid
CID 43714240
5-bromo-2-fluoro-3-(2-propan-2-yloxyethylsulfamoyl)benzoic acid
CID 104759163
5-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]-2,4-dimethylbenzoic acid
CID 107215536
5-chloro-2-fluoro-3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]sulfamoyl]benzoic acid
CID 79236454
2,4-dichloro-5-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid
CID 93081651
2-hydroxy-5-(1-hydroxypropan-2-ylsulfamoyl)-4-methylbenzoic acid
CID 43499094
5-bromo-2-fluoro-3-[(3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid
CID 43665893
2-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid
CID 107215504
2-bromo-5-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid
CID 107215449
5-bromo-2-fluoro-3-(2-methylsulfonylethylsulfonyl)benzoic acid
CID 60915571
3-bromo-5-(1-hydroxypropan-2-ylsulfamoyl)-4-methylbenzoic acid
CID 81488308

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-3-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid?
The IUPAC name of 5-bromo-2-fluoro-3-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid (CID 107215547) is 5-bromo-2-fluoro-3-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid.
What is the SMILES notation for 5-bromo-2-fluoro-3-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid?
The canonical SMILES for 5-bromo-2-fluoro-3-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid is C[C@@H](CO)NS(=O)(=O)c1cc(Br)cc(C(=O)O)c1F.
What is the InChIKey of 5-bromo-2-fluoro-3-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid?
The InChIKey is BBOMRJVYSHGRQT-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H11BrFNO5S/c1-5(4-14)13-19(17,18)8-3-6(11)2-7(9(8)12)10(15)16/h2-3,5,13-14H,4H2,1H3,(H,15,16)/t5-/m0/s1.
What are the key properties of 5-bromo-2-fluoro-3-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid?
5-bromo-2-fluoro-3-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid has a molecular weight of 356.17 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-3-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid is sourced from PubChem (CID 107215547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).