5-(hydroxysulfamoyl)-2-iodobenzoic acid

C7H6INO5S — CID 103962652

IUPAC5-(hydroxysulfamoyl)-2-iodobenzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NO)ccc1I
InChIInChI=1S/C7H6INO5S/c8-6-2-1-4(15(13,14)9-12)3-5(6)7(10)11/h1-3,9,12H,(H,10,11)
InChIKeyRTXLCNOPFAVVOQ-UHFFFAOYSA-N
MW343.10 g/mol
LogP0.66
Rot. Bonds3

About 5-(hydroxysulfamoyl)-2-iodobenzoic acid

5-(hydroxysulfamoyl)-2-iodobenzoic acid (PubChem CID 103962652) has the molecular formula C7H6INO5S and a molecular weight of 343.10 g/mol. Its IUPAC name is 5-(hydroxysulfamoyl)-2-iodobenzoic acid.

Molecular Properties

Compound Name5-(hydroxysulfamoyl)-2-iodobenzoic acid
PubChem CID103962652
Molecular FormulaC7H6INO5S
Molecular Weight343.10 g/mol
Exact Mass342.90
IUPAC Name5-(hydroxysulfamoyl)-2-iodobenzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NO)ccc1I
InChIInChI=1S/C7H6INO5S/c8-6-2-1-4(15(13,14)9-12)3-5(6)7(10)11/h1-3,9,12H,(H,10,11)
InChIKeyRTXLCNOPFAVVOQ-UHFFFAOYSA-N
XLogP0.66
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.10
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(dimethylaminosulfamoyl)-2-iodobenzoic acid
CID 103962667
2-bromo-5-(hydroxysulfamoyl)benzoic acid
CID 78908716
5-fluorosulfonyl-2-iodobenzoic acid
CID 166000203
2-iodo-5-(pyrimidin-2-ylsulfamoyl)benzoic acid
CID 103962224
2-iodo-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 103962275
5-[(1-amino-2-methyl-1-oxopropan-2-yl)sulfamoyl]-2-iodobenzoic acid
CID 103962395
5-[(6-chloro-3-pyridinyl)sulfamoyl]-2-iodobenzoic acid
CID 103962654
5-(5-hydroxypentylsulfamoyl)-2-iodobenzoic acid
CID 107316572
5-[(2-fluorophenyl)sulfamoyl]-2-iodobenzoic acid
CID 103962204
2-iodo-5-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]benzoic acid
CID 103962339
5-(but-3-ynylsulfamoyl)-2-iodobenzoic acid
CID 103962532
5-[(5-amino-5-oxopentyl)sulfamoyl]-2-iodobenzoic acid
CID 106234811

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxysulfamoyl)-2-iodobenzoic acid?
The IUPAC name of 5-(hydroxysulfamoyl)-2-iodobenzoic acid (CID 103962652) is 5-(hydroxysulfamoyl)-2-iodobenzoic acid.
What is the SMILES notation for 5-(hydroxysulfamoyl)-2-iodobenzoic acid?
The canonical SMILES for 5-(hydroxysulfamoyl)-2-iodobenzoic acid is O=C(O)c1cc(S(=O)(=O)NO)ccc1I.
What is the InChIKey of 5-(hydroxysulfamoyl)-2-iodobenzoic acid?
The InChIKey is RTXLCNOPFAVVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6INO5S/c8-6-2-1-4(15(13,14)9-12)3-5(6)7(10)11/h1-3,9,12H,(H,10,11).
What are the key properties of 5-(hydroxysulfamoyl)-2-iodobenzoic acid?
5-(hydroxysulfamoyl)-2-iodobenzoic acid has a molecular weight of 343.10 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxysulfamoyl)-2-iodobenzoic acid is sourced from PubChem (CID 103962652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).