N-[4-(aminomethyl)-2-fluoro-6-iodophenyl]ethanesulfonamide

C9H12FIN2O2S — CID 67241815

IUPACN-[4-(aminomethyl)-2-fluoro-6-iodophenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1c(F)cc(CN)cc1I
InChIInChI=1S/C9H12FIN2O2S/c1-2-16(14,15)13-9-7(10)3-6(5-12)4-8(9)11/h3-4,13H,2,5,12H2,1H3
InChIKeyPPTZXLSMXLAQBT-UHFFFAOYSA-N
MW358.18 g/mol
LogP1.65
Rot. Bonds4

About N-[4-(aminomethyl)-2-fluoro-6-iodophenyl]ethanesulfonamide

N-[4-(aminomethyl)-2-fluoro-6-iodophenyl]ethanesulfonamide (PubChem CID 67241815) has the molecular formula C9H12FIN2O2S and a molecular weight of 358.18 g/mol. Its IUPAC name is N-[4-(aminomethyl)-2-fluoro-6-iodophenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-2-fluoro-6-iodophenyl]ethanesulfonamide
PubChem CID67241815
Molecular FormulaC9H12FIN2O2S
Molecular Weight358.18 g/mol
Exact Mass357.96
IUPAC NameN-[4-(aminomethyl)-2-fluoro-6-iodophenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1c(F)cc(CN)cc1I
InChIInChI=1S/C9H12FIN2O2S/c1-2-16(14,15)13-9-7(10)3-6(5-12)4-8(9)11/h3-4,13H,2,5,12H2,1H3
InChIKeyPPTZXLSMXLAQBT-UHFFFAOYSA-N
XLogP1.65
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.18
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-2-fluoro-6-iodophenyl]ethanesulfonamide?
The IUPAC name of N-[4-(aminomethyl)-2-fluoro-6-iodophenyl]ethanesulfonamide (CID 67241815) is N-[4-(aminomethyl)-2-fluoro-6-iodophenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)-2-fluoro-6-iodophenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(aminomethyl)-2-fluoro-6-iodophenyl]ethanesulfonamide is CCS(=O)(=O)Nc1c(F)cc(CN)cc1I.
What is the InChIKey of N-[4-(aminomethyl)-2-fluoro-6-iodophenyl]ethanesulfonamide?
The InChIKey is PPTZXLSMXLAQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FIN2O2S/c1-2-16(14,15)13-9-7(10)3-6(5-12)4-8(9)11/h3-4,13H,2,5,12H2,1H3.
What are the key properties of N-[4-(aminomethyl)-2-fluoro-6-iodophenyl]ethanesulfonamide?
N-[4-(aminomethyl)-2-fluoro-6-iodophenyl]ethanesulfonamide has a molecular weight of 358.18 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-2-fluoro-6-iodophenyl]ethanesulfonamide is sourced from PubChem (CID 67241815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).