5-[(6-chloro-3-pyridinyl)sulfamoyl]-2-iodobenzoic acid

C12H8ClIN2O4S — CID 103962654

IUPAC5-[(6-chloro-3-pyridinyl)sulfamoyl]-2-iodobenzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccc(Cl)nc2)ccc1I
InChIInChI=1S/C12H8ClIN2O4S/c13-11-4-1-7(6-15-11)16-21(19,20)8-2-3-10(14)9(5-8)12(17)18/h1-6,16H,(H,17,18)
InChIKeyYDTZKLJSEDQNFQ-UHFFFAOYSA-N
MW438.63 g/mol
LogP2.84
Rot. Bonds4

About 5-[(6-chloro-3-pyridinyl)sulfamoyl]-2-iodobenzoic acid

5-[(6-chloro-3-pyridinyl)sulfamoyl]-2-iodobenzoic acid (PubChem CID 103962654) has the molecular formula C12H8ClIN2O4S and a molecular weight of 438.63 g/mol. Its IUPAC name is 5-[(6-chloro-3-pyridinyl)sulfamoyl]-2-iodobenzoic acid.

Molecular Properties

Compound Name5-[(6-chloro-3-pyridinyl)sulfamoyl]-2-iodobenzoic acid
PubChem CID103962654
Molecular FormulaC12H8ClIN2O4S
Molecular Weight438.63 g/mol
Exact Mass437.89
IUPAC Name5-[(6-chloro-3-pyridinyl)sulfamoyl]-2-iodobenzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccc(Cl)nc2)ccc1I
InChIInChI=1S/C12H8ClIN2O4S/c13-11-4-1-7(6-15-11)16-21(19,20)8-2-3-10(14)9(5-8)12(17)18/h1-6,16H,(H,17,18)
InChIKeyYDTZKLJSEDQNFQ-UHFFFAOYSA-N
XLogP2.84
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.63
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

methyl 5-[(6-chloro-3-pyridinyl)sulfamoyl]-2-methylbenzoate
CID 87814534
2-iodo-5-(pyrimidin-2-ylsulfamoyl)benzoic acid
CID 103962224
5-(hydroxysulfamoyl)-2-iodobenzoic acid
CID 103962652
6-chloro-N-phenylpyridine-3-sulfonamide
CID 4729892
5-[[4-[(3-carboxy-4-hydroxyphenyl)sulfonylamino]phenyl]sulfamoyl]-2-hydroxybenzoic acid
CID 25046771
6-chloro-N-(3-iodo-4-methylphenyl)pyridine-3-sulfonamide
CID 26950537
4-amino-N-(6-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 82844123
4-chloro-N-(6-chloro-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 56532242
2-iodo-5-[(2-methyl-3-pyridinyl)sulfamoyl]benzoic acid
CID 103962591
2-carboxy-4-[(4-hydroxyphenyl)sulfamoyl]phenolate
CID 54677693
5-(dimethylaminosulfamoyl)-2-iodobenzoic acid
CID 103962667
3-[(6-chloro-3-pyridinyl)sulfonylamino]benzoic acid
CID 7938689

Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloro-3-pyridinyl)sulfamoyl]-2-iodobenzoic acid?
The IUPAC name of 5-[(6-chloro-3-pyridinyl)sulfamoyl]-2-iodobenzoic acid (CID 103962654) is 5-[(6-chloro-3-pyridinyl)sulfamoyl]-2-iodobenzoic acid.
What is the SMILES notation for 5-[(6-chloro-3-pyridinyl)sulfamoyl]-2-iodobenzoic acid?
The canonical SMILES for 5-[(6-chloro-3-pyridinyl)sulfamoyl]-2-iodobenzoic acid is O=C(O)c1cc(S(=O)(=O)Nc2ccc(Cl)nc2)ccc1I.
What is the InChIKey of 5-[(6-chloro-3-pyridinyl)sulfamoyl]-2-iodobenzoic acid?
The InChIKey is YDTZKLJSEDQNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClIN2O4S/c13-11-4-1-7(6-15-11)16-21(19,20)8-2-3-10(14)9(5-8)12(17)18/h1-6,16H,(H,17,18).
What are the key properties of 5-[(6-chloro-3-pyridinyl)sulfamoyl]-2-iodobenzoic acid?
5-[(6-chloro-3-pyridinyl)sulfamoyl]-2-iodobenzoic acid has a molecular weight of 438.63 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloro-3-pyridinyl)sulfamoyl]-2-iodobenzoic acid is sourced from PubChem (CID 103962654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).