5-bromo-2-[(4-chlorophenyl)sulfonylamino]benzoic acid

C13H9BrClNO4S — CID 1069140

IUPAC5-bromo-2-[(4-chlorophenyl)sulfonylamino]benzoic acid
SMILESO=C(O)c1cc(Br)ccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H9BrClNO4S/c14-8-1-6-12(11(7-8)13(17)18)16-21(19,20)10-4-2-9(15)3-5-10/h1-7,16H,(H,17,18)
InChIKeyJDVLYAYDIMUAAC-UHFFFAOYSA-N
MW390.64 g/mol
LogP3.60
Rot. Bonds4

About 5-bromo-2-[(4-chlorophenyl)sulfonylamino]benzoic acid

5-bromo-2-[(4-chlorophenyl)sulfonylamino]benzoic acid (PubChem CID 1069140) has the molecular formula C13H9BrClNO4S and a molecular weight of 390.64 g/mol. Its IUPAC name is 5-bromo-2-[(4-chlorophenyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name5-bromo-2-[(4-chlorophenyl)sulfonylamino]benzoic acid
PubChem CID1069140
Molecular FormulaC13H9BrClNO4S
Molecular Weight390.64 g/mol
Exact Mass388.91
IUPAC Name5-bromo-2-[(4-chlorophenyl)sulfonylamino]benzoic acid
SMILESO=C(O)c1cc(Br)ccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H9BrClNO4S/c14-8-1-6-12(11(7-8)13(17)18)16-21(19,20)10-4-2-9(15)3-5-10/h1-7,16H,(H,17,18)
InChIKeyJDVLYAYDIMUAAC-UHFFFAOYSA-N
XLogP3.60
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.64
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(4-chlorophenyl)sulfonylamino]benzoic acid?
The IUPAC name of 5-bromo-2-[(4-chlorophenyl)sulfonylamino]benzoic acid (CID 1069140) is 5-bromo-2-[(4-chlorophenyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 5-bromo-2-[(4-chlorophenyl)sulfonylamino]benzoic acid?
The canonical SMILES for 5-bromo-2-[(4-chlorophenyl)sulfonylamino]benzoic acid is O=C(O)c1cc(Br)ccc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-bromo-2-[(4-chlorophenyl)sulfonylamino]benzoic acid?
The InChIKey is JDVLYAYDIMUAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClNO4S/c14-8-1-6-12(11(7-8)13(17)18)16-21(19,20)10-4-2-9(15)3-5-10/h1-7,16H,(H,17,18).
What are the key properties of 5-bromo-2-[(4-chlorophenyl)sulfonylamino]benzoic acid?
5-bromo-2-[(4-chlorophenyl)sulfonylamino]benzoic acid has a molecular weight of 390.64 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(4-chlorophenyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 1069140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).