1,1,1-trifluoro-N-[(2-iodophenyl)-phenylmethyl]methanesulfonamide

C14H11F3INO2S — CID 134948678

IUPAC1,1,1-trifluoro-N-[(2-iodophenyl)-phenylmethyl]methanesulfonamide
SMILESO=S(=O)(NC(c1ccccc1)c1ccccc1I)C(F)(F)F
InChIInChI=1S/C14H11F3INO2S/c15-14(16,17)22(20,21)19-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)18/h1-9,13,19H
InChIKeyXYCRZUZGOHNTME-UHFFFAOYSA-N
MW441.21 g/mol
LogP3.82
Rot. Bonds4

About 1,1,1-trifluoro-N-[(2-iodophenyl)-phenylmethyl]methanesulfonamide

1,1,1-trifluoro-N-[(2-iodophenyl)-phenylmethyl]methanesulfonamide (PubChem CID 134948678) has the molecular formula C14H11F3INO2S and a molecular weight of 441.21 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[(2-iodophenyl)-phenylmethyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[(2-iodophenyl)-phenylmethyl]methanesulfonamide
PubChem CID134948678
Molecular FormulaC14H11F3INO2S
Molecular Weight441.21 g/mol
Exact Mass440.95
IUPAC Name1,1,1-trifluoro-N-[(2-iodophenyl)-phenylmethyl]methanesulfonamide
SMILESO=S(=O)(NC(c1ccccc1)c1ccccc1I)C(F)(F)F
InChIInChI=1S/C14H11F3INO2S/c15-14(16,17)22(20,21)19-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)18/h1-9,13,19H
InChIKeyXYCRZUZGOHNTME-UHFFFAOYSA-N
XLogP3.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.21
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[(2-iodophenyl)-phenylmethyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[(2-iodophenyl)-phenylmethyl]methanesulfonamide (CID 134948678) is 1,1,1-trifluoro-N-[(2-iodophenyl)-phenylmethyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[(2-iodophenyl)-phenylmethyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[(2-iodophenyl)-phenylmethyl]methanesulfonamide is O=S(=O)(NC(c1ccccc1)c1ccccc1I)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[(2-iodophenyl)-phenylmethyl]methanesulfonamide?
The InChIKey is XYCRZUZGOHNTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3INO2S/c15-14(16,17)22(20,21)19-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)18/h1-9,13,19H.
What are the key properties of 1,1,1-trifluoro-N-[(2-iodophenyl)-phenylmethyl]methanesulfonamide?
1,1,1-trifluoro-N-[(2-iodophenyl)-phenylmethyl]methanesulfonamide has a molecular weight of 441.21 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[(2-iodophenyl)-phenylmethyl]methanesulfonamide is sourced from PubChem (CID 134948678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).