2-bromo-5-[[(2R)-2-hydroxypropyl]sulfamoyl]benzoic acid

C10H12BrNO5S — CID 107216066

IUPAC2-bromo-5-[[(2R)-2-hydroxypropyl]sulfamoyl]benzoic acid
SMILESC[C@@H](O)CNS(=O)(=O)c1ccc(Br)c(C(=O)O)c1
InChIInChI=1S/C10H12BrNO5S/c1-6(13)5-12-18(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
InChIKeyDUMMYYNJFLOJIF-ZCFIWIBFSA-N
MW338.18 g/mol
LogP0.81
Rot. Bonds5

About 2-bromo-5-[[(2R)-2-hydroxypropyl]sulfamoyl]benzoic acid

2-bromo-5-[[(2R)-2-hydroxypropyl]sulfamoyl]benzoic acid (PubChem CID 107216066) has the molecular formula C10H12BrNO5S and a molecular weight of 338.18 g/mol. Its IUPAC name is 2-bromo-5-[[(2R)-2-hydroxypropyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-bromo-5-[[(2R)-2-hydroxypropyl]sulfamoyl]benzoic acid
PubChem CID107216066
Molecular FormulaC10H12BrNO5S
Molecular Weight338.18 g/mol
Exact Mass336.96
IUPAC Name2-bromo-5-[[(2R)-2-hydroxypropyl]sulfamoyl]benzoic acid
SMILESC[C@@H](O)CNS(=O)(=O)c1ccc(Br)c(C(=O)O)c1
InChIInChI=1S/C10H12BrNO5S/c1-6(13)5-12-18(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
InChIKeyDUMMYYNJFLOJIF-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

2-bromo-5-(3-methylbutylsulfamoyl)benzoic acid
CID 43216892
4-bromo-N-[(2S)-2-hydroxypropyl]-3-methylbenzenesulfonamide
CID 51681214
2-bromo-5-(5-methylhexylsulfamoyl)benzoic acid
CID 115325025
2-bromo-5-[2-(methanesulfonamido)ethylsulfamoyl]benzoic acid
CID 43420745
2-bromo-5-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]benzoic acid
CID 107215449
methyl 2-bromo-5-(2-methylpropylsulfamoyl)benzoate
CID 47131741
2-bromo-5-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 43398569
2-bromo-5-(hydroxysulfamoyl)benzoic acid
CID 78908716
2-hydroxy-5-(2-methylpropylsulfamoyl)benzoic acid
CID 14490063
4-bromo-3-(dimethylaminocarbamoyl)-N-(2-methylpropyl)benzenesulfonamide
CID 9180241
2-bromo-5-(6-hydroxyhexylsulfamoyl)benzoic acid
CID 107847689
2-bromo-5-[[4-(2-methylpropanoylamino)phenyl]sulfamoyl]benzoic acid
CID 26965650

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[[(2R)-2-hydroxypropyl]sulfamoyl]benzoic acid?
The IUPAC name of 2-bromo-5-[[(2R)-2-hydroxypropyl]sulfamoyl]benzoic acid (CID 107216066) is 2-bromo-5-[[(2R)-2-hydroxypropyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 2-bromo-5-[[(2R)-2-hydroxypropyl]sulfamoyl]benzoic acid?
The canonical SMILES for 2-bromo-5-[[(2R)-2-hydroxypropyl]sulfamoyl]benzoic acid is C[C@@H](O)CNS(=O)(=O)c1ccc(Br)c(C(=O)O)c1.
What is the InChIKey of 2-bromo-5-[[(2R)-2-hydroxypropyl]sulfamoyl]benzoic acid?
The InChIKey is DUMMYYNJFLOJIF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H12BrNO5S/c1-6(13)5-12-18(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)-2-hydroxypropyl]sulfamoyl]benzoic acid?
2-bromo-5-[[(2R)-2-hydroxypropyl]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)-2-hydroxypropyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 107216066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).