N-[4-(aminomethyl)-2-iodophenyl]methanesulfonamide

C8H11IN2O2S — CID 11617489

IUPACN-[4-(aminomethyl)-2-iodophenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(CN)cc1I
InChIInChI=1S/C8H11IN2O2S/c1-14(12,13)11-8-3-2-6(5-10)4-7(8)9/h2-4,11H,5,10H2,1H3
InChIKeyAKQZUJLHSYQOJO-UHFFFAOYSA-N
MW326.16 g/mol
LogP1.12
Rot. Bonds3

About N-[4-(aminomethyl)-2-iodophenyl]methanesulfonamide

N-[4-(aminomethyl)-2-iodophenyl]methanesulfonamide (PubChem CID 11617489) has the molecular formula C8H11IN2O2S and a molecular weight of 326.16 g/mol. Its IUPAC name is N-[4-(aminomethyl)-2-iodophenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-2-iodophenyl]methanesulfonamide
PubChem CID11617489
Molecular FormulaC8H11IN2O2S
Molecular Weight326.16 g/mol
Exact Mass325.96
IUPAC NameN-[4-(aminomethyl)-2-iodophenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(CN)cc1I
InChIInChI=1S/C8H11IN2O2S/c1-14(12,13)11-8-3-2-6(5-10)4-7(8)9/h2-4,11H,5,10H2,1H3
InChIKeyAKQZUJLHSYQOJO-UHFFFAOYSA-N
XLogP1.12
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.16
LogP ≤ 51.12
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

N-(4-bromo-2-iodophenyl)methanesulfonamide
CID 119088640
N-[4-(aminomethyl)phenyl]methanesulfonamide;ethane
CID 142116771
N-[3-(aminomethyl)phenyl]methanesulfonamide
CID 10495443
N-[4-(aminomethyl)-2-methoxyphenyl]cyclopropanesulfonamide
CID 113460263
N-[5-(aminomethyl)-2-methylphenyl]propane-1-sulfonamide
CID 62103601
5-(aminomethyl)-N-(2,4-dimethylphenyl)-2-methylbenzenesulfonamide
CID 28717455
1-amino-N-[4-(aminomethyl)-2-fluorophenyl]methanesulfonamide
CID 67318256
2-[3-fluoro-4-(methanesulfonamido)phenyl]acetamide
CID 68721183
5-(aminomethyl)-2-chloro-N-(2-chloro-4-iodophenyl)benzenesulfonamide
CID 106006581
(4-ethoxy-3-iodophenyl)methanamine;hydrochloride
CID 169488700
4-(aminomethyl)-N-(methylsulfamoyl)aniline
CID 112704468
4-(aminomethyl)-N-(tert-butylsulfamoyl)-2-fluoroaniline
CID 114804109

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-2-iodophenyl]methanesulfonamide?
The IUPAC name of N-[4-(aminomethyl)-2-iodophenyl]methanesulfonamide (CID 11617489) is N-[4-(aminomethyl)-2-iodophenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)-2-iodophenyl]methanesulfonamide?
The canonical SMILES for N-[4-(aminomethyl)-2-iodophenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(CN)cc1I.
What is the InChIKey of N-[4-(aminomethyl)-2-iodophenyl]methanesulfonamide?
The InChIKey is AKQZUJLHSYQOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN2O2S/c1-14(12,13)11-8-3-2-6(5-10)4-7(8)9/h2-4,11H,5,10H2,1H3.
What are the key properties of N-[4-(aminomethyl)-2-iodophenyl]methanesulfonamide?
N-[4-(aminomethyl)-2-iodophenyl]methanesulfonamide has a molecular weight of 326.16 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-2-iodophenyl]methanesulfonamide is sourced from PubChem (CID 11617489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).