1-fluoro-N-phenylmethanesulfonamide

C7H8FNO2S — CID 23273593

IUPAC1-fluoro-N-phenylmethanesulfonamide
SMILESO=S(=O)(CF)Nc1ccccc1
InChIInChI=1S/C7H8FNO2S/c8-6-12(10,11)9-7-4-2-1-3-5-7/h1-5,9H,6H2
InChIKeyWOPCCJAPUINYMV-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.36
Rot. Bonds3

About 1-fluoro-N-phenylmethanesulfonamide

1-fluoro-N-phenylmethanesulfonamide (PubChem CID 23273593) has the molecular formula C7H8FNO2S and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-fluoro-N-phenylmethanesulfonamide.

Molecular Properties

Compound Name1-fluoro-N-phenylmethanesulfonamide
PubChem CID23273593
Molecular FormulaC7H8FNO2S
Molecular Weight189.21 g/mol
Exact Mass189.03
IUPAC Name1-fluoro-N-phenylmethanesulfonamide
SMILESO=S(=O)(CF)Nc1ccccc1
InChIInChI=1S/C7H8FNO2S/c8-6-12(10,11)9-7-4-2-1-3-5-7/h1-5,9H,6H2
InChIKeyWOPCCJAPUINYMV-UHFFFAOYSA-N
XLogP1.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-phenylmethanesulfonamide?
The IUPAC name of 1-fluoro-N-phenylmethanesulfonamide (CID 23273593) is 1-fluoro-N-phenylmethanesulfonamide.
What is the SMILES notation for 1-fluoro-N-phenylmethanesulfonamide?
The canonical SMILES for 1-fluoro-N-phenylmethanesulfonamide is O=S(=O)(CF)Nc1ccccc1.
What is the InChIKey of 1-fluoro-N-phenylmethanesulfonamide?
The InChIKey is WOPCCJAPUINYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO2S/c8-6-12(10,11)9-7-4-2-1-3-5-7/h1-5,9H,6H2.
What are the key properties of 1-fluoro-N-phenylmethanesulfonamide?
1-fluoro-N-phenylmethanesulfonamide has a molecular weight of 189.21 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-phenylmethanesulfonamide is sourced from PubChem (CID 23273593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).