2-[(3-chlorophenyl)sulfonylamino]-5-iodobenzoic acid

C13H9ClINO4S — CID 45330272

IUPAC2-[(3-chlorophenyl)sulfonylamino]-5-iodobenzoic acid
SMILESO=C(O)c1cc(I)ccc1NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H9ClINO4S/c14-8-2-1-3-10(6-8)21(19,20)16-12-5-4-9(15)7-11(12)13(17)18/h1-7,16H,(H,17,18)
InChIKeyQPRKWOIGXVLXQC-UHFFFAOYSA-N
MW437.64 g/mol
LogP3.44
Rot. Bonds4

About 2-[(3-chlorophenyl)sulfonylamino]-5-iodobenzoic acid

2-[(3-chlorophenyl)sulfonylamino]-5-iodobenzoic acid (PubChem CID 45330272) has the molecular formula C13H9ClINO4S and a molecular weight of 437.64 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)sulfonylamino]-5-iodobenzoic acid.

Molecular Properties

Compound Name2-[(3-chlorophenyl)sulfonylamino]-5-iodobenzoic acid
PubChem CID45330272
Molecular FormulaC13H9ClINO4S
Molecular Weight437.64 g/mol
Exact Mass436.90
IUPAC Name2-[(3-chlorophenyl)sulfonylamino]-5-iodobenzoic acid
SMILESO=C(O)c1cc(I)ccc1NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H9ClINO4S/c14-8-2-1-3-10(6-8)21(19,20)16-12-5-4-9(15)7-11(12)13(17)18/h1-7,16H,(H,17,18)
InChIKeyQPRKWOIGXVLXQC-UHFFFAOYSA-N
XLogP3.44
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.64
LogP ≤ 53.44
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-[(3-chlorophenyl)sulfonylamino]-5-ethylbenzoic acid
CID 11724797
N-(2-benzoyl-4-methylphenyl)-3-chlorobenzenesulfonamide
CID 91653506
3-chloro-N-(2,4-dichlorophenyl)benzenesulfonamide
CID 26952629
2-[(2-bromophenyl)sulfonylamino]-5-iodobenzoic acid
CID 45330293
N-(5-bromo-2-iodophenyl)-3-chlorobenzenesulfonamide
CID 114259576
2-[[3-[(2,4-dichlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 10183345
3-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 889559
2-(azepan-1-ylsulfonylamino)-5-iodobenzoic acid
CID 63111221
6-[(3-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 61319004
2-chloro-4-[(3-iodophenyl)sulfamoyl]benzoic acid
CID 103710305
5-iodo-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 104933209
2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 10296361

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)sulfonylamino]-5-iodobenzoic acid?
The IUPAC name of 2-[(3-chlorophenyl)sulfonylamino]-5-iodobenzoic acid (CID 45330272) is 2-[(3-chlorophenyl)sulfonylamino]-5-iodobenzoic acid.
What is the SMILES notation for 2-[(3-chlorophenyl)sulfonylamino]-5-iodobenzoic acid?
The canonical SMILES for 2-[(3-chlorophenyl)sulfonylamino]-5-iodobenzoic acid is O=C(O)c1cc(I)ccc1NS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)sulfonylamino]-5-iodobenzoic acid?
The InChIKey is QPRKWOIGXVLXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClINO4S/c14-8-2-1-3-10(6-8)21(19,20)16-12-5-4-9(15)7-11(12)13(17)18/h1-7,16H,(H,17,18).
What are the key properties of 2-[(3-chlorophenyl)sulfonylamino]-5-iodobenzoic acid?
2-[(3-chlorophenyl)sulfonylamino]-5-iodobenzoic acid has a molecular weight of 437.64 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)sulfonylamino]-5-iodobenzoic acid is sourced from PubChem (CID 45330272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).