N-(3-fluoro-4-hydroxyphenyl)methanesulfonamide

C7H8FNO3S — CID 64782397

IUPACN-(3-fluoro-4-hydroxyphenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(O)c(F)c1
InChIInChI=1S/C7H8FNO3S/c1-13(11,12)9-5-2-3-7(10)6(8)4-5/h2-4,9-10H,1H3
InChIKeyLBSQAVLDCKZVNC-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.90
Rot. Bonds2

About N-(3-fluoro-4-hydroxyphenyl)methanesulfonamide

N-(3-fluoro-4-hydroxyphenyl)methanesulfonamide (PubChem CID 64782397) has the molecular formula C7H8FNO3S and a molecular weight of 205.21 g/mol. Its IUPAC name is N-(3-fluoro-4-hydroxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-hydroxyphenyl)methanesulfonamide
PubChem CID64782397
Molecular FormulaC7H8FNO3S
Molecular Weight205.21 g/mol
Exact Mass205.02
IUPAC NameN-(3-fluoro-4-hydroxyphenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(O)c(F)c1
InChIInChI=1S/C7H8FNO3S/c1-13(11,12)9-5-2-3-7(10)6(8)4-5/h2-4,9-10H,1H3
InChIKeyLBSQAVLDCKZVNC-UHFFFAOYSA-N
XLogP0.90
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-hydroxyphenyl)methanesulfonamide?
The IUPAC name of N-(3-fluoro-4-hydroxyphenyl)methanesulfonamide (CID 64782397) is N-(3-fluoro-4-hydroxyphenyl)methanesulfonamide.
What is the SMILES notation for N-(3-fluoro-4-hydroxyphenyl)methanesulfonamide?
The canonical SMILES for N-(3-fluoro-4-hydroxyphenyl)methanesulfonamide is CS(=O)(=O)Nc1ccc(O)c(F)c1.
What is the InChIKey of N-(3-fluoro-4-hydroxyphenyl)methanesulfonamide?
The InChIKey is LBSQAVLDCKZVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO3S/c1-13(11,12)9-5-2-3-7(10)6(8)4-5/h2-4,9-10H,1H3.
What are the key properties of N-(3-fluoro-4-hydroxyphenyl)methanesulfonamide?
N-(3-fluoro-4-hydroxyphenyl)methanesulfonamide has a molecular weight of 205.21 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-hydroxyphenyl)methanesulfonamide is sourced from PubChem (CID 64782397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).