1-hydroxy-2-iodo-4-(sulfamoylamino)benzene

C6H7IN2O3S — CID 58523293

IUPAC1-hydroxy-2-iodo-4-(sulfamoylamino)benzene
SMILESNS(=O)(=O)Nc1ccc(O)c(I)c1
InChIInChI=1S/C6H7IN2O3S/c7-5-3-4(1-2-6(5)10)9-13(8,11)12/h1-3,9-10H,(H2,8,11,12)
InChIKeyDUUDBCSPHOMUON-UHFFFAOYSA-N
MW314.10 g/mol
LogP0.61
Rot. Bonds2

About 1-hydroxy-2-iodo-4-(sulfamoylamino)benzene

1-hydroxy-2-iodo-4-(sulfamoylamino)benzene (PubChem CID 58523293) has the molecular formula C6H7IN2O3S and a molecular weight of 314.10 g/mol. Its IUPAC name is 1-hydroxy-2-iodo-4-(sulfamoylamino)benzene.

Molecular Properties

Compound Name1-hydroxy-2-iodo-4-(sulfamoylamino)benzene
PubChem CID58523293
Molecular FormulaC6H7IN2O3S
Molecular Weight314.10 g/mol
Exact Mass313.92
IUPAC Name1-hydroxy-2-iodo-4-(sulfamoylamino)benzene
SMILESNS(=O)(=O)Nc1ccc(O)c(I)c1
InChIInChI=1S/C6H7IN2O3S/c7-5-3-4(1-2-6(5)10)9-13(8,11)12/h1-3,9-10H,(H2,8,11,12)
InChIKeyDUUDBCSPHOMUON-UHFFFAOYSA-N
XLogP0.61
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.10
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-iodo-4-(sulfamoylamino)benzene?
The IUPAC name of 1-hydroxy-2-iodo-4-(sulfamoylamino)benzene (CID 58523293) is 1-hydroxy-2-iodo-4-(sulfamoylamino)benzene.
What is the SMILES notation for 1-hydroxy-2-iodo-4-(sulfamoylamino)benzene?
The canonical SMILES for 1-hydroxy-2-iodo-4-(sulfamoylamino)benzene is NS(=O)(=O)Nc1ccc(O)c(I)c1.
What is the InChIKey of 1-hydroxy-2-iodo-4-(sulfamoylamino)benzene?
The InChIKey is DUUDBCSPHOMUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7IN2O3S/c7-5-3-4(1-2-6(5)10)9-13(8,11)12/h1-3,9-10H,(H2,8,11,12).
What are the key properties of 1-hydroxy-2-iodo-4-(sulfamoylamino)benzene?
1-hydroxy-2-iodo-4-(sulfamoylamino)benzene has a molecular weight of 314.10 g/mol, XLogP of 0.61, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-iodo-4-(sulfamoylamino)benzene is sourced from PubChem (CID 58523293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).