3-iodobenzenesulfonohydrazide

C6H7IN2O2S — CID 171366770

IUPAC3-iodobenzenesulfonohydrazide
SMILESNNS(=O)(=O)c1cccc(I)c1
InChIInChI=1S/C6H7IN2O2S/c7-5-2-1-3-6(4-5)12(10,11)9-8/h1-4,9H,8H2
InChIKeyFEPWDMHQJUEFMU-UHFFFAOYSA-N
MW298.11 g/mol
LogP0.44
Rot. Bonds2

About 3-iodobenzenesulfonohydrazide

3-iodobenzenesulfonohydrazide (PubChem CID 171366770) has the molecular formula C6H7IN2O2S and a molecular weight of 298.11 g/mol. Its IUPAC name is 3-iodobenzenesulfonohydrazide.

Molecular Properties

Compound Name3-iodobenzenesulfonohydrazide
PubChem CID171366770
Molecular FormulaC6H7IN2O2S
Molecular Weight298.11 g/mol
Exact Mass297.93
IUPAC Name3-iodobenzenesulfonohydrazide
SMILESNNS(=O)(=O)c1cccc(I)c1
InChIInChI=1S/C6H7IN2O2S/c7-5-2-1-3-6(4-5)12(10,11)9-8/h1-4,9H,8H2
InChIKeyFEPWDMHQJUEFMU-UHFFFAOYSA-N
XLogP0.44
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.11
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

silver 3-iodobenzenesulfonate
CID 139842142
3-iodobenzenesulfonamide
CID 11219806
3-chlorobenzenesulfonohydrazide
CID 12924057
aluminum tris(3-iodobenzenesulfonate)
CID 22604124
strontium bis(3-iodobenzenesulfonate)
CID 139842237
benzenesulfonohydrazide;hydrate
CID 21414143
N-[3-(aminomethyl)pentan-3-yl]-3-iodobenzenesulfonamide
CID 119981566
3-iodo-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120715837
3-iodo-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 119965124
3-iodo-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120715836
3-[(3-iodophenyl)sulfonylamino]butanoic acid
CID 75496519
N-(1-aminohexan-2-yl)-3-iodobenzenesulfonamide;hydrochloride
CID 119993373

Frequently Asked Questions

What is the IUPAC name of 3-iodobenzenesulfonohydrazide?
The IUPAC name of 3-iodobenzenesulfonohydrazide (CID 171366770) is 3-iodobenzenesulfonohydrazide.
What is the SMILES notation for 3-iodobenzenesulfonohydrazide?
The canonical SMILES for 3-iodobenzenesulfonohydrazide is NNS(=O)(=O)c1cccc(I)c1.
What is the InChIKey of 3-iodobenzenesulfonohydrazide?
The InChIKey is FEPWDMHQJUEFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7IN2O2S/c7-5-2-1-3-6(4-5)12(10,11)9-8/h1-4,9H,8H2.
What are the key properties of 3-iodobenzenesulfonohydrazide?
3-iodobenzenesulfonohydrazide has a molecular weight of 298.11 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodobenzenesulfonohydrazide is sourced from PubChem (CID 171366770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).