2-iodoacetamide;phenylmethanesulfonyl fluoride

C9H11FINO3S — CID 88669921

IUPAC2-iodoacetamide;phenylmethanesulfonyl fluoride
SMILESNC(=O)CI.O=S(=O)(F)Cc1ccccc1
InChIInChI=1S/C7H7FO2S.C2H4INO/c8-11(9,10)6-7-4-2-1-3-5-7;3-1-2(4)5/h1-5H,6H2;1H2,(H2,4,5)
InChIKeyAXNZRTLUAWIOKC-UHFFFAOYSA-N
MW359.16 g/mol
LogP1.39
Rot. Bonds3

About 2-iodoacetamide;phenylmethanesulfonyl fluoride

2-iodoacetamide;phenylmethanesulfonyl fluoride (PubChem CID 88669921) has the molecular formula C9H11FINO3S and a molecular weight of 359.16 g/mol. Its IUPAC name is 2-iodoacetamide;phenylmethanesulfonyl fluoride.

Molecular Properties

Compound Name2-iodoacetamide;phenylmethanesulfonyl fluoride
PubChem CID88669921
Molecular FormulaC9H11FINO3S
Molecular Weight359.16 g/mol
Exact Mass358.95
IUPAC Name2-iodoacetamide;phenylmethanesulfonyl fluoride
SMILESNC(=O)CI.O=S(=O)(F)Cc1ccccc1
InChIInChI=1S/C7H7FO2S.C2H4INO/c8-11(9,10)6-7-4-2-1-3-5-7;3-1-2(4)5/h1-5H,6H2;1H2,(H2,4,5)
InChIKeyAXNZRTLUAWIOKC-UHFFFAOYSA-N
XLogP1.39
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.16
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodoacetamide;phenylmethanesulfonyl fluoride?
The IUPAC name of 2-iodoacetamide;phenylmethanesulfonyl fluoride (CID 88669921) is 2-iodoacetamide;phenylmethanesulfonyl fluoride.
What is the SMILES notation for 2-iodoacetamide;phenylmethanesulfonyl fluoride?
The canonical SMILES for 2-iodoacetamide;phenylmethanesulfonyl fluoride is NC(=O)CI.O=S(=O)(F)Cc1ccccc1.
What is the InChIKey of 2-iodoacetamide;phenylmethanesulfonyl fluoride?
The InChIKey is AXNZRTLUAWIOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FO2S.C2H4INO/c8-11(9,10)6-7-4-2-1-3-5-7;3-1-2(4)5/h1-5H,6H2;1H2,(H2,4,5).
What are the key properties of 2-iodoacetamide;phenylmethanesulfonyl fluoride?
2-iodoacetamide;phenylmethanesulfonyl fluoride has a molecular weight of 359.16 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodoacetamide;phenylmethanesulfonyl fluoride is sourced from PubChem (CID 88669921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).