3-amino-N-(3-iodophenyl)-4-methylbenzenesulfonamide

C13H13IN2O2S — CID 43124457

IUPAC3-amino-N-(3-iodophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(I)c2)cc1N
InChIInChI=1S/C13H13IN2O2S/c1-9-5-6-12(8-13(9)15)19(17,18)16-11-4-2-3-10(14)7-11/h2-8,16H,15H2,1H3
InChIKeyVHQSFFKIRYXCEZ-UHFFFAOYSA-N
MW388.23 g/mol
LogP2.98
Rot. Bonds3

About 3-amino-N-(3-iodophenyl)-4-methylbenzenesulfonamide

3-amino-N-(3-iodophenyl)-4-methylbenzenesulfonamide (PubChem CID 43124457) has the molecular formula C13H13IN2O2S and a molecular weight of 388.23 g/mol. Its IUPAC name is 3-amino-N-(3-iodophenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(3-iodophenyl)-4-methylbenzenesulfonamide
PubChem CID43124457
Molecular FormulaC13H13IN2O2S
Molecular Weight388.23 g/mol
Exact Mass387.97
IUPAC Name3-amino-N-(3-iodophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(I)c2)cc1N
InChIInChI=1S/C13H13IN2O2S/c1-9-5-6-12(8-13(9)15)19(17,18)16-11-4-2-3-10(14)7-11/h2-8,16H,15H2,1H3
InChIKeyVHQSFFKIRYXCEZ-UHFFFAOYSA-N
XLogP2.98
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.23
LogP ≤ 52.98
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

3-amino-N-(3-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 61168279
4-bromo-N-(3-iodophenyl)-3-methylbenzenesulfonamide
CID 60640765
3-amino-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587481
N-(3-amino-4-methylphenyl)-3-fluorobenzenesulfonamide
CID 24708334
3-amino-N-(3-bromo-4-fluorophenyl)-4-methylbenzenesulfonamide
CID 104775518
3,4-diethoxy-N-(3-iodophenyl)benzenesulfonamide
CID 27658180
3-amino-N-[4-(cyanomethyl)phenyl]-4-methylbenzenesulfonamide
CID 62058676
N-(3-iodophenyl)-1,3-dioxoisoindole-5-sulfonamide
CID 56582438
N-(3-amino-4-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 39439923
3-amino-4-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 29298458
3-[(3-iodophenyl)sulfamoyl]benzoic acid
CID 25335262
3-amino-4-hydroxy-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 107699434

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-iodophenyl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(3-iodophenyl)-4-methylbenzenesulfonamide (CID 43124457) is 3-amino-N-(3-iodophenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(3-iodophenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(3-iodophenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(I)c2)cc1N.
What is the InChIKey of 3-amino-N-(3-iodophenyl)-4-methylbenzenesulfonamide?
The InChIKey is VHQSFFKIRYXCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13IN2O2S/c1-9-5-6-12(8-13(9)15)19(17,18)16-11-4-2-3-10(14)7-11/h2-8,16H,15H2,1H3.
What are the key properties of 3-amino-N-(3-iodophenyl)-4-methylbenzenesulfonamide?
3-amino-N-(3-iodophenyl)-4-methylbenzenesulfonamide has a molecular weight of 388.23 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-iodophenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 43124457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).