2-bromo-5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]benzoic acid

C11H9BrF3NO4S — CID 106209132

IUPAC2-bromo-5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NC2(C(F)(F)F)CC2)ccc1Br
InChIInChI=1S/C11H9BrF3NO4S/c12-8-2-1-6(5-7(8)9(17)18)21(19,20)16-10(3-4-10)11(13,14)15/h1-2,5,16H,3-4H2,(H,17,18)
InChIKeySNVZUBAZCJAIRR-UHFFFAOYSA-N
MW388.16 g/mol
LogP2.52
Rot. Bonds4

About 2-bromo-5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]benzoic acid

2-bromo-5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]benzoic acid (PubChem CID 106209132) has the molecular formula C11H9BrF3NO4S and a molecular weight of 388.16 g/mol. Its IUPAC name is 2-bromo-5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-bromo-5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]benzoic acid
PubChem CID106209132
Molecular FormulaC11H9BrF3NO4S
Molecular Weight388.16 g/mol
Exact Mass386.94
IUPAC Name2-bromo-5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NC2(C(F)(F)F)CC2)ccc1Br
InChIInChI=1S/C11H9BrF3NO4S/c12-8-2-1-6(5-7(8)9(17)18)21(19,20)16-10(3-4-10)11(13,14)15/h1-2,5,16H,3-4H2,(H,17,18)
InChIKeySNVZUBAZCJAIRR-UHFFFAOYSA-N
XLogP2.52
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.16
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106214877
4-amino-2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]benzoic acid
CID 106208573
2-bromo-5-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106219415
2-bromo-5-(hydroxysulfamoyl)benzoic acid
CID 78908716
2-bromo-5-[(2,2-dimethylcyclopentyl)sulfamoyl]benzoic acid
CID 79870885
3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106208577
2-bromo-5-[[1-(2-hydroxyethyl)cyclopropyl]methylsulfamoyl]benzoic acid
CID 114755973
2-bromo-5-(3,3,3-trifluoropropylsulfonyl)benzoic acid
CID 64565907
2-bromo-N-methyl-5-[(1-methylcyclopropyl)sulfamoyl]benzamide
CID 121398580
3-(hydroxymethyl)-4-methoxy-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106218479
2-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-4-sulfonamide
CID 106211293
2-bromo-5-[2-(methanesulfonamido)ethylsulfamoyl]benzoic acid
CID 43420745

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]benzoic acid?
The IUPAC name of 2-bromo-5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]benzoic acid (CID 106209132) is 2-bromo-5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 2-bromo-5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]benzoic acid?
The canonical SMILES for 2-bromo-5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]benzoic acid is O=C(O)c1cc(S(=O)(=O)NC2(C(F)(F)F)CC2)ccc1Br.
What is the InChIKey of 2-bromo-5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]benzoic acid?
The InChIKey is SNVZUBAZCJAIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF3NO4S/c12-8-2-1-6(5-7(8)9(17)18)21(19,20)16-10(3-4-10)11(13,14)15/h1-2,5,16H,3-4H2,(H,17,18).
What are the key properties of 2-bromo-5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]benzoic acid?
2-bromo-5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]benzoic acid has a molecular weight of 388.16 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 106209132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).