2-iodo-1,3-benzoxazole-4-sulfonamide

C7H5IN2O3S — CID 130895688

IUPAC2-iodo-1,3-benzoxazole-4-sulfonamide
SMILESNS(=O)(=O)c1cccc2oc(I)nc12
InChIInChI=1S/C7H5IN2O3S/c8-7-10-6-4(13-7)2-1-3-5(6)14(9,11)12/h1-3H,(H2,9,11,12)
InChIKeyZGINTPFECBRBCM-UHFFFAOYSA-N
MW324.10 g/mol
LogP1.08
Rot. Bonds1

About 2-iodo-1,3-benzoxazole-4-sulfonamide

2-iodo-1,3-benzoxazole-4-sulfonamide (PubChem CID 130895688) has the molecular formula C7H5IN2O3S and a molecular weight of 324.10 g/mol. Its IUPAC name is 2-iodo-1,3-benzoxazole-4-sulfonamide.

Molecular Properties

Compound Name2-iodo-1,3-benzoxazole-4-sulfonamide
PubChem CID130895688
Molecular FormulaC7H5IN2O3S
Molecular Weight324.10 g/mol
Exact Mass323.91
IUPAC Name2-iodo-1,3-benzoxazole-4-sulfonamide
SMILESNS(=O)(=O)c1cccc2oc(I)nc12
InChIInChI=1S/C7H5IN2O3S/c8-7-10-6-4(13-7)2-1-3-5(6)14(9,11)12/h1-3H,(H2,9,11,12)
InChIKeyZGINTPFECBRBCM-UHFFFAOYSA-N
XLogP1.08
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.10
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

quinazoline-8-sulfonamide
CID 141414949
2-amino-3-iodobenzenesulfonamide
CID 118996244
silver benzotriazol-1-ide-4-sulfonamide
CID 88707586
ethyl 2-methyl-1,3-benzoxazole-4-sulfonate
CID 119084074
2-formyl-1,3-benzoxazole-7-sulfonamide
CID 131547174
2-bromobenzenesulfonamide;hydrochloride
CID 172836390
azane;naphthalene-1-sulfonamide
CID 174765300
3-(1,3-benzoxazol-4-yl)-2-(1,3,2-dioxaborolan-2-yl)benzenesulfonamide
CID 67984541
2-(3-iodophenyl)-1,3-benzoxazole-4-carboxylic acid
CID 81345889
2-amino-3-oxo-1-N,9-N-diphenylphenoxazine-1,9-disulfonamide
CID 59136487
2-fluorobenzenesulfonamide;oxolane
CID 157248736
1-(amino-methylidene-oxo-λ6-sulfanyl)-2-bromobenzene
CID 91226081

Frequently Asked Questions

What is the IUPAC name of 2-iodo-1,3-benzoxazole-4-sulfonamide?
The IUPAC name of 2-iodo-1,3-benzoxazole-4-sulfonamide (CID 130895688) is 2-iodo-1,3-benzoxazole-4-sulfonamide.
What is the SMILES notation for 2-iodo-1,3-benzoxazole-4-sulfonamide?
The canonical SMILES for 2-iodo-1,3-benzoxazole-4-sulfonamide is NS(=O)(=O)c1cccc2oc(I)nc12.
What is the InChIKey of 2-iodo-1,3-benzoxazole-4-sulfonamide?
The InChIKey is ZGINTPFECBRBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5IN2O3S/c8-7-10-6-4(13-7)2-1-3-5(6)14(9,11)12/h1-3H,(H2,9,11,12).
What are the key properties of 2-iodo-1,3-benzoxazole-4-sulfonamide?
2-iodo-1,3-benzoxazole-4-sulfonamide has a molecular weight of 324.10 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1,3-benzoxazole-4-sulfonamide is sourced from PubChem (CID 130895688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).