2-bromo-5-(cyclopropylsulfamoyl)benzoate

C10H9BrNO4S- — CID 7128950

IUPAC2-bromo-5-(cyclopropylsulfamoyl)benzoate
SMILESO=C([O-])c1cc(S(=O)(=O)NC2CC2)ccc1Br
InChIInChI=1S/C10H10BrNO4S/c11-9-4-3-7(5-8(9)10(13)14)17(15,16)12-6-1-2-6/h3-6,12H,1-2H2,(H,13,14)/p-1
InChIKeyNGOFHWMILIWKFA-UHFFFAOYSA-M
MW319.16 g/mol
LogP0.25
Rot. Bonds4

About 2-bromo-5-(cyclopropylsulfamoyl)benzoate

2-bromo-5-(cyclopropylsulfamoyl)benzoate (PubChem CID 7128950) has the molecular formula C10H9BrNO4S- and a molecular weight of 319.16 g/mol. Its IUPAC name is 2-bromo-5-(cyclopropylsulfamoyl)benzoate.

Molecular Properties

Compound Name2-bromo-5-(cyclopropylsulfamoyl)benzoate
PubChem CID7128950
Molecular FormulaC10H9BrNO4S-
Molecular Weight319.16 g/mol
Exact Mass317.94
IUPAC Name2-bromo-5-(cyclopropylsulfamoyl)benzoate
SMILESO=C([O-])c1cc(S(=O)(=O)NC2CC2)ccc1Br
InChIInChI=1S/C10H10BrNO4S/c11-9-4-3-7(5-8(9)10(13)14)17(15,16)12-6-1-2-6/h3-6,12H,1-2H2,(H,13,14)/p-1
InChIKeyNGOFHWMILIWKFA-UHFFFAOYSA-M
XLogP0.25
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
CID 43216879
3-(benzamidocarbamoyl)-4-bromo-N-cyclopropylbenzenesulfonamide
CID 27839003
2-bromo-5-(cyclopropylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 30684295
2-bromo-5-(cyclopropylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29370582
2-bromo-5-(cyclopropylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 24536619
2-bromo-5-(cyclopropylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 24642120
4-bromo-3-chloro-N-(4-hydroxycyclohexyl)benzenesulfonamide
CID 134367233
2-bromo-5-(cyclopropylsulfamoyl)-N-[4-(dimethylamino)butan-2-yl]benzamide
CID 86945813
2-bromo-5-(cyclopropylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26716297
2-bromo-5-(cyclopropylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 40811240
2-bromo-5-(cyclopropylsulfamoyl)-N-(furan-2-ylmethyl)benzamide
CID 9401625
2-bromo-5-(cyclopropylsulfamoyl)-N-[4-(difluoromethoxy)phenyl]benzamide
CID 34274025

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(cyclopropylsulfamoyl)benzoate?
The IUPAC name of 2-bromo-5-(cyclopropylsulfamoyl)benzoate (CID 7128950) is 2-bromo-5-(cyclopropylsulfamoyl)benzoate.
What is the SMILES notation for 2-bromo-5-(cyclopropylsulfamoyl)benzoate?
The canonical SMILES for 2-bromo-5-(cyclopropylsulfamoyl)benzoate is O=C([O-])c1cc(S(=O)(=O)NC2CC2)ccc1Br.
What is the InChIKey of 2-bromo-5-(cyclopropylsulfamoyl)benzoate?
The InChIKey is NGOFHWMILIWKFA-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10BrNO4S/c11-9-4-3-7(5-8(9)10(13)14)17(15,16)12-6-1-2-6/h3-6,12H,1-2H2,(H,13,14)/p-1.
What are the key properties of 2-bromo-5-(cyclopropylsulfamoyl)benzoate?
2-bromo-5-(cyclopropylsulfamoyl)benzoate has a molecular weight of 319.16 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(cyclopropylsulfamoyl)benzoate is sourced from PubChem (CID 7128950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).