2-bromo-5-(cyclopropylsulfamoyl)benzoic acid

C10H10BrNO4S — CID 4962179

IUPAC2-bromo-5-(cyclopropylsulfamoyl)benzoic acid
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)
InChIKeyNGOFHWMILIWKFA-UHFFFAOYSA-N
MW320.16 g/mol
LogP1.59
Rot. Bonds4

About 2-bromo-5-(cyclopropylsulfamoyl)benzoic acid

2-bromo-5-(cyclopropylsulfamoyl)benzoic acid (PubChem CID 4962179) has the molecular formula C10H10BrNO4S and a molecular weight of 320.16 g/mol. Its IUPAC name is 2-bromo-5-(cyclopropylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-bromo-5-(cyclopropylsulfamoyl)benzoic acid
PubChem CID4962179
Molecular FormulaC10H10BrNO4S
Molecular Weight320.16 g/mol
Exact Mass318.95
IUPAC Name2-bromo-5-(cyclopropylsulfamoyl)benzoic acid
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)
InChIKeyNGOFHWMILIWKFA-UHFFFAOYSA-N
XLogP1.59
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.16
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(cyclopropylsulfamoyl)benzoic acid?
The IUPAC name of 2-bromo-5-(cyclopropylsulfamoyl)benzoic acid (CID 4962179) is 2-bromo-5-(cyclopropylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-bromo-5-(cyclopropylsulfamoyl)benzoic acid?
The canonical SMILES for 2-bromo-5-(cyclopropylsulfamoyl)benzoic acid is O=C(O)c1cc(S(=O)(=O)NC2CC2)ccc1Br.
What is the InChIKey of 2-bromo-5-(cyclopropylsulfamoyl)benzoic acid?
The InChIKey is NGOFHWMILIWKFA-UHFFFAOYSA-N. 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).
What are the key properties of 2-bromo-5-(cyclopropylsulfamoyl)benzoic acid?
2-bromo-5-(cyclopropylsulfamoyl)benzoic acid has a molecular weight of 320.16 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(cyclopropylsulfamoyl)benzoic acid is sourced from PubChem (CID 4962179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).