4-fluoro-N-hydroxycyclohepta-3,5-diene-1-sulfonamide

C7H10FNO3S — CID 126536409

IUPAC4-fluoro-N-hydroxycyclohepta-3,5-diene-1-sulfonamide
SMILESO=S(=O)(NO)C1CC=CC(F)=CC1
InChIInChI=1S/C7H10FNO3S/c8-6-2-1-3-7(5-4-6)13(11,12)9-10/h1-2,4,7,9-10H,3,5H2
InChIKeyCHWQLDCJOCRSHR-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.87
Rot. Bonds2

About 4-fluoro-N-hydroxycyclohepta-3,5-diene-1-sulfonamide

4-fluoro-N-hydroxycyclohepta-3,5-diene-1-sulfonamide (PubChem CID 126536409) has the molecular formula C7H10FNO3S and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-fluoro-N-hydroxycyclohepta-3,5-diene-1-sulfonamide.

Molecular Properties

Compound Name4-fluoro-N-hydroxycyclohepta-3,5-diene-1-sulfonamide
PubChem CID126536409
Molecular FormulaC7H10FNO3S
Molecular Weight207.23 g/mol
Exact Mass207.04
IUPAC Name4-fluoro-N-hydroxycyclohepta-3,5-diene-1-sulfonamide
SMILESO=S(=O)(NO)C1CC=CC(F)=CC1
InChIInChI=1S/C7H10FNO3S/c8-6-2-1-3-7(5-4-6)13(11,12)9-10/h1-2,4,7,9-10H,3,5H2
InChIKeyCHWQLDCJOCRSHR-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 4-fluoro-N-hydroxycyclohepta-3,5-diene-1-sulfonamide?
The IUPAC name of 4-fluoro-N-hydroxycyclohepta-3,5-diene-1-sulfonamide (CID 126536409) is 4-fluoro-N-hydroxycyclohepta-3,5-diene-1-sulfonamide.
What is the SMILES notation for 4-fluoro-N-hydroxycyclohepta-3,5-diene-1-sulfonamide?
The canonical SMILES for 4-fluoro-N-hydroxycyclohepta-3,5-diene-1-sulfonamide is O=S(=O)(NO)C1CC=CC(F)=CC1.
What is the InChIKey of 4-fluoro-N-hydroxycyclohepta-3,5-diene-1-sulfonamide?
The InChIKey is CHWQLDCJOCRSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO3S/c8-6-2-1-3-7(5-4-6)13(11,12)9-10/h1-2,4,7,9-10H,3,5H2.
What are the key properties of 4-fluoro-N-hydroxycyclohepta-3,5-diene-1-sulfonamide?
4-fluoro-N-hydroxycyclohepta-3,5-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 4-fluoro-N-hydroxycyclohepta-3,5-diene-1-sulfonamide is sourced from PubChem (CID 126536409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).