5-fluoro-N-hydroxy-2-methylcyclohexa-2,4-diene-1-sulfonamide

C7H10FNO3S — CID 137418049

IUPAC5-fluoro-N-hydroxy-2-methylcyclohexa-2,4-diene-1-sulfonamide
SMILESCC1=CC=C(F)CC1S(=O)(=O)NO
InChIInChI=1S/C7H10FNO3S/c1-5-2-3-6(8)4-7(5)13(11,12)9-10/h2-3,7,9-10H,4H2,1H3
InChIKeyXFQCARNMILLFCQ-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.87
Rot. Bonds2

About 5-fluoro-N-hydroxy-2-methylcyclohexa-2,4-diene-1-sulfonamide

5-fluoro-N-hydroxy-2-methylcyclohexa-2,4-diene-1-sulfonamide (PubChem CID 137418049) has the molecular formula C7H10FNO3S and a molecular weight of 207.23 g/mol. Its IUPAC name is 5-fluoro-N-hydroxy-2-methylcyclohexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound Name5-fluoro-N-hydroxy-2-methylcyclohexa-2,4-diene-1-sulfonamide
PubChem CID137418049
Molecular FormulaC7H10FNO3S
Molecular Weight207.23 g/mol
Exact Mass207.04
IUPAC Name5-fluoro-N-hydroxy-2-methylcyclohexa-2,4-diene-1-sulfonamide
SMILESCC1=CC=C(F)CC1S(=O)(=O)NO
InChIInChI=1S/C7H10FNO3S/c1-5-2-3-6(8)4-7(5)13(11,12)9-10/h2-3,7,9-10H,4H2,1H3
InChIKeyXFQCARNMILLFCQ-UHFFFAOYSA-N
XLogP0.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-hydroxy-2-methylcyclohexa-2,4-diene-1-sulfonamide?
The IUPAC name of 5-fluoro-N-hydroxy-2-methylcyclohexa-2,4-diene-1-sulfonamide (CID 137418049) is 5-fluoro-N-hydroxy-2-methylcyclohexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for 5-fluoro-N-hydroxy-2-methylcyclohexa-2,4-diene-1-sulfonamide?
The canonical SMILES for 5-fluoro-N-hydroxy-2-methylcyclohexa-2,4-diene-1-sulfonamide is CC1=CC=C(F)CC1S(=O)(=O)NO.
What is the InChIKey of 5-fluoro-N-hydroxy-2-methylcyclohexa-2,4-diene-1-sulfonamide?
The InChIKey is XFQCARNMILLFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO3S/c1-5-2-3-6(8)4-7(5)13(11,12)9-10/h2-3,7,9-10H,4H2,1H3.
What are the key properties of 5-fluoro-N-hydroxy-2-methylcyclohexa-2,4-diene-1-sulfonamide?
5-fluoro-N-hydroxy-2-methylcyclohexa-2,4-diene-1-sulfonamide has a molecular weight of 207.23 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-hydroxy-2-methylcyclohexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 137418049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).