2-(aminomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide

C13H12ClIN2O2S — CID 106087423

IUPAC2-(aminomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide
SMILESNCc1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C13H12ClIN2O2S/c14-10-5-6-12(11(15)7-10)17-20(18,19)13-4-2-1-3-9(13)8-16/h1-7,17H,8,16H2
InChIKeyOVHYIHGYYGMSCM-UHFFFAOYSA-N
MW422.68 g/mol
LogP3.20
Rot. Bonds4

About 2-(aminomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide

2-(aminomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide (PubChem CID 106087423) has the molecular formula C13H12ClIN2O2S and a molecular weight of 422.68 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide
PubChem CID106087423
Molecular FormulaC13H12ClIN2O2S
Molecular Weight422.68 g/mol
Exact Mass421.94
IUPAC Name2-(aminomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide
SMILESNCc1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C13H12ClIN2O2S/c14-10-5-6-12(11(15)7-10)17-20(18,19)13-4-2-1-3-9(13)8-16/h1-7,17H,8,16H2
InChIKeyOVHYIHGYYGMSCM-UHFFFAOYSA-N
XLogP3.20
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.68
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-N-(2-chloro-4-iodophenyl)benzenesulfonamide
CID 106006776
2-(aminomethyl)-N-(4-chlorophenyl)benzenesulfonamide
CID 106060822
2-(aminomethyl)-N-(3-chlorophenyl)benzenesulfonamide
CID 106060498
5-(aminomethyl)-N-(4-chloro-2-iodophenyl)-2-methylthiophene-3-sulfonamide
CID 106087437
2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)benzenesulfonamide
CID 106088506
N-(4-chloro-2-iodophenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 107626569
3-(aminomethyl)-5-chloro-N-(2-iodophenyl)-2-methylbenzenesulfonamide
CID 106030300
3-[(4-chloro-2-iodophenyl)sulfamoyl]pyridine-2-carbothioamide
CID 107626085
N-(4-chloro-2-iodophenyl)-2-(ethylamino)pyridine-3-sulfonamide
CID 107630667
3-amino-5-chloro-N-(4-chloro-2-iodophenyl)-2-fluorobenzenesulfonamide
CID 107624597
5-amino-N-(4-chloro-2-iodophenyl)-2-fluoro-4-methylbenzenesulfonamide
CID 107624631
4-amino-2,6-dichloro-N-(4-chloro-2-iodophenyl)benzenesulfonamide
CID 107624642

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide (CID 106087423) is 2-(aminomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide is NCc1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1I.
What is the InChIKey of 2-(aminomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide?
The InChIKey is OVHYIHGYYGMSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClIN2O2S/c14-10-5-6-12(11(15)7-10)17-20(18,19)13-4-2-1-3-9(13)8-16/h1-7,17H,8,16H2.
What are the key properties of 2-(aminomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide?
2-(aminomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide has a molecular weight of 422.68 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide is sourced from PubChem (CID 106087423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).