2-[(2-bromophenyl)sulfonylamino]-5-iodobenzoic acid

C13H9BrINO4S — CID 45330293

IUPAC2-[(2-bromophenyl)sulfonylamino]-5-iodobenzoic acid
SMILESO=C(O)c1cc(I)ccc1NS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C13H9BrINO4S/c14-10-3-1-2-4-12(10)21(19,20)16-11-6-5-8(15)7-9(11)13(17)18/h1-7,16H,(H,17,18)
InChIKeyZXHQHFKETPGXLG-UHFFFAOYSA-N
MW482.09 g/mol
LogP3.55
Rot. Bonds4

About 2-[(2-bromophenyl)sulfonylamino]-5-iodobenzoic acid

2-[(2-bromophenyl)sulfonylamino]-5-iodobenzoic acid (PubChem CID 45330293) has the molecular formula C13H9BrINO4S and a molecular weight of 482.09 g/mol. Its IUPAC name is 2-[(2-bromophenyl)sulfonylamino]-5-iodobenzoic acid.

Molecular Properties

Compound Name2-[(2-bromophenyl)sulfonylamino]-5-iodobenzoic acid
PubChem CID45330293
Molecular FormulaC13H9BrINO4S
Molecular Weight482.09 g/mol
Exact Mass480.85
IUPAC Name2-[(2-bromophenyl)sulfonylamino]-5-iodobenzoic acid
SMILESO=C(O)c1cc(I)ccc1NS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C13H9BrINO4S/c14-10-3-1-2-4-12(10)21(19,20)16-11-6-5-8(15)7-9(11)13(17)18/h1-7,16H,(H,17,18)
InChIKeyZXHQHFKETPGXLG-UHFFFAOYSA-N
XLogP3.55
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.09
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 3513589
2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-5-iodobenzoic acid
CID 63408848
3-[(2-bromophenyl)sulfonylamino]-2-hydroxybenzoic acid
CID 104833074
2-[(2-bromophenyl)sulfonylamino]benzamide
CID 17391161
5-bromo-2-(naphthalen-1-ylsulfonylamino)benzoic acid
CID 68865312
2-[(3-chlorophenyl)sulfonylamino]-5-iodobenzoic acid
CID 45330272
2-[(2-bromophenyl)sulfonylamino]-6-fluorobenzoic acid
CID 43443122
5-bromo-2-[(4-bromo-2,1,3-benzothiadiazol-7-yl)sulfonylamino]benzoic acid
CID 1092380
2-[(2-chlorophenyl)sulfonylamino]-5-methylbenzoic acid
CID 28970995
2-(azepan-1-ylsulfonylamino)-5-iodobenzoic acid
CID 63111221
5-iodo-2-(2-methylsulfonylethylsulfonylamino)benzoic acid
CID 63245263
5-iodo-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 104933209

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)sulfonylamino]-5-iodobenzoic acid?
The IUPAC name of 2-[(2-bromophenyl)sulfonylamino]-5-iodobenzoic acid (CID 45330293) is 2-[(2-bromophenyl)sulfonylamino]-5-iodobenzoic acid.
What is the SMILES notation for 2-[(2-bromophenyl)sulfonylamino]-5-iodobenzoic acid?
The canonical SMILES for 2-[(2-bromophenyl)sulfonylamino]-5-iodobenzoic acid is O=C(O)c1cc(I)ccc1NS(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)sulfonylamino]-5-iodobenzoic acid?
The InChIKey is ZXHQHFKETPGXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrINO4S/c14-10-3-1-2-4-12(10)21(19,20)16-11-6-5-8(15)7-9(11)13(17)18/h1-7,16H,(H,17,18).
What are the key properties of 2-[(2-bromophenyl)sulfonylamino]-5-iodobenzoic acid?
2-[(2-bromophenyl)sulfonylamino]-5-iodobenzoic acid has a molecular weight of 482.09 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)sulfonylamino]-5-iodobenzoic acid is sourced from PubChem (CID 45330293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).