4-carbamimidoylbenzenesulfonyl fluoride

C7H7FN2O2S — CID 3015638

IUPAC4-carbamimidoylbenzenesulfonyl fluoride
SMILES[H]/N=C(\N)c1ccc(S(=O)(=O)F)cc1
InChIInChI=1S/C7H7FN2O2S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H3,9,10)
InChIKeyLIXKVGAXCBVJLI-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.63
Rot. Bonds2

About 4-carbamimidoylbenzenesulfonyl fluoride

4-carbamimidoylbenzenesulfonyl fluoride (PubChem CID 3015638) has the molecular formula C7H7FN2O2S and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-carbamimidoylbenzenesulfonyl fluoride.

Molecular Properties

Compound Name4-carbamimidoylbenzenesulfonyl fluoride
PubChem CID3015638
Molecular FormulaC7H7FN2O2S
Molecular Weight202.21 g/mol
Exact Mass202.02
IUPAC Name4-carbamimidoylbenzenesulfonyl fluoride
SMILES[H]/N=C(\N)c1ccc(S(=O)(=O)F)cc1
InChIInChI=1S/C7H7FN2O2S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H3,9,10)
InChIKeyLIXKVGAXCBVJLI-UHFFFAOYSA-N
XLogP0.63
TPSA84.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-carbamimidoylbenzenesulfonyl fluoride?
The IUPAC name of 4-carbamimidoylbenzenesulfonyl fluoride (CID 3015638) is 4-carbamimidoylbenzenesulfonyl fluoride.
What is the SMILES notation for 4-carbamimidoylbenzenesulfonyl fluoride?
The canonical SMILES for 4-carbamimidoylbenzenesulfonyl fluoride is [H]/N=C(\N)c1ccc(S(=O)(=O)F)cc1.
What is the InChIKey of 4-carbamimidoylbenzenesulfonyl fluoride?
The InChIKey is LIXKVGAXCBVJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O2S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H3,9,10).
What are the key properties of 4-carbamimidoylbenzenesulfonyl fluoride?
4-carbamimidoylbenzenesulfonyl fluoride has a molecular weight of 202.21 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamimidoylbenzenesulfonyl fluoride is sourced from PubChem (CID 3015638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).