3-cyano-N-(2-iodophenyl)benzenesulfonamide

C13H9IN2O2S — CID 7938667

IUPAC3-cyano-N-(2-iodophenyl)benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2ccccc2I)c1
InChIInChI=1S/C13H9IN2O2S/c14-12-6-1-2-7-13(12)16-19(17,18)11-5-3-4-10(8-11)9-15/h1-8,16H
InChIKeyDVETZEPIFHJZPH-UHFFFAOYSA-N
MW384.20 g/mol
LogP2.96
Rot. Bonds3

About 3-cyano-N-(2-iodophenyl)benzenesulfonamide

3-cyano-N-(2-iodophenyl)benzenesulfonamide (PubChem CID 7938667) has the molecular formula C13H9IN2O2S and a molecular weight of 384.20 g/mol. Its IUPAC name is 3-cyano-N-(2-iodophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(2-iodophenyl)benzenesulfonamide
PubChem CID7938667
Molecular FormulaC13H9IN2O2S
Molecular Weight384.20 g/mol
Exact Mass383.94
IUPAC Name3-cyano-N-(2-iodophenyl)benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2ccccc2I)c1
InChIInChI=1S/C13H9IN2O2S/c14-12-6-1-2-7-13(12)16-19(17,18)11-5-3-4-10(8-11)9-15/h1-8,16H
InChIKeyDVETZEPIFHJZPH-UHFFFAOYSA-N
XLogP2.96
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.20
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyano-N-(2,3-difluorophenyl)benzenesulfonamide
CID 47336983
4-cyano-N-(2-iodophenyl)-3-methylbenzenesulfonamide
CID 106831745
3-cyano-N-(3-hydroxy-2-methylphenyl)benzenesulfonamide
CID 64794037
N-(2-iodophenyl)benzenesulfonamide
CID 632219
N-(2-iodophenyl)-3-methylbenzenesulfonamide
CID 47104358
3-amino-N-(2-iodophenyl)benzenesulfonamide
CID 43124659
3-cyano-N-(2,4,5-trifluorophenyl)benzenesulfonamide
CID 62815564
N-(3-chloro-2-methylphenyl)-3-cyanobenzenesulfonamide
CID 7938773
3-cyano-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 26970591
3-cyano-N-quinolin-8-ylbenzenesulfonamide
CID 8823700
4-[(3-cyanophenyl)sulfonylamino]benzoate
CID 8015569
3-cyano-N-(4-phenoxyphenyl)benzenesulfonamide
CID 40604675

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2-iodophenyl)benzenesulfonamide?
The IUPAC name of 3-cyano-N-(2-iodophenyl)benzenesulfonamide (CID 7938667) is 3-cyano-N-(2-iodophenyl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(2-iodophenyl)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-(2-iodophenyl)benzenesulfonamide is N#Cc1cccc(S(=O)(=O)Nc2ccccc2I)c1.
What is the InChIKey of 3-cyano-N-(2-iodophenyl)benzenesulfonamide?
The InChIKey is DVETZEPIFHJZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9IN2O2S/c14-12-6-1-2-7-13(12)16-19(17,18)11-5-3-4-10(8-11)9-15/h1-8,16H.
What are the key properties of 3-cyano-N-(2-iodophenyl)benzenesulfonamide?
3-cyano-N-(2-iodophenyl)benzenesulfonamide has a molecular weight of 384.20 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2-iodophenyl)benzenesulfonamide is sourced from PubChem (CID 7938667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).