3-amino-N-(2-iodophenyl)-2,5,6-trimethylbenzenesulfonamide

C15H17IN2O2S — CID 106503720

IUPAC3-amino-N-(2-iodophenyl)-2,5,6-trimethylbenzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)Nc2ccccc2I)c1C
InChIInChI=1S/C15H17IN2O2S/c1-9-8-13(17)11(3)15(10(9)2)21(19,20)18-14-7-5-4-6-12(14)16/h4-8,18H,17H2,1-3H3
InChIKeyWKKPQXCELPGMFG-UHFFFAOYSA-N
MW416.28 g/mol
LogP3.60
Rot. Bonds3

About 3-amino-N-(2-iodophenyl)-2,5,6-trimethylbenzenesulfonamide

3-amino-N-(2-iodophenyl)-2,5,6-trimethylbenzenesulfonamide (PubChem CID 106503720) has the molecular formula C15H17IN2O2S and a molecular weight of 416.28 g/mol. Its IUPAC name is 3-amino-N-(2-iodophenyl)-2,5,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-iodophenyl)-2,5,6-trimethylbenzenesulfonamide
PubChem CID106503720
Molecular FormulaC15H17IN2O2S
Molecular Weight416.28 g/mol
Exact Mass416.01
IUPAC Name3-amino-N-(2-iodophenyl)-2,5,6-trimethylbenzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)Nc2ccccc2I)c1C
InChIInChI=1S/C15H17IN2O2S/c1-9-8-13(17)11(3)15(10(9)2)21(19,20)18-14-7-5-4-6-12(14)16/h4-8,18H,17H2,1-3H3
InChIKeyWKKPQXCELPGMFG-UHFFFAOYSA-N
XLogP3.60
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.28
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 43605525
3-amino-5-chloro-N-(2-iodophenyl)-4-methylbenzenesulfonamide
CID 43124650
2-amino-N-(2-iodophenyl)benzenesulfonamide
CID 43124657
2-amino-4,6-dichloro-N-(2-iodophenyl)benzenesulfonamide
CID 43256705
2,3,5,6-tetramethyl-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 22202725
4-[(2-iodophenyl)sulfamoyl]-2-methylbenzenecarbothioamide
CID 106919999
3-amino-2,5,6-trimethyl-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 106504809
3-amino-N-(2-iodophenyl)benzenesulfonamide
CID 43124659
N-(2-iodophenyl)-3-methylbenzenesulfonamide
CID 47104358
3-amino-N-(2-chlorophenyl)-2,6-dimethylbenzenesulfonamide
CID 43257589
3-amino-2,5,6-trimethyl-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 106505457
N-(2-iodophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106030183

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-iodophenyl)-2,5,6-trimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(2-iodophenyl)-2,5,6-trimethylbenzenesulfonamide (CID 106503720) is 3-amino-N-(2-iodophenyl)-2,5,6-trimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2-iodophenyl)-2,5,6-trimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(2-iodophenyl)-2,5,6-trimethylbenzenesulfonamide is Cc1cc(N)c(C)c(S(=O)(=O)Nc2ccccc2I)c1C.
What is the InChIKey of 3-amino-N-(2-iodophenyl)-2,5,6-trimethylbenzenesulfonamide?
The InChIKey is WKKPQXCELPGMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17IN2O2S/c1-9-8-13(17)11(3)15(10(9)2)21(19,20)18-14-7-5-4-6-12(14)16/h4-8,18H,17H2,1-3H3.
What are the key properties of 3-amino-N-(2-iodophenyl)-2,5,6-trimethylbenzenesulfonamide?
3-amino-N-(2-iodophenyl)-2,5,6-trimethylbenzenesulfonamide has a molecular weight of 416.28 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-iodophenyl)-2,5,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 106503720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).