N-(3-fluoro-4-hydroxyphenyl)butane-1-sulfonamide

C10H14FNO3S — CID 64781668

IUPACN-(3-fluoro-4-hydroxyphenyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(O)c(F)c1
InChIInChI=1S/C10H14FNO3S/c1-2-3-6-16(14,15)12-8-4-5-10(13)9(11)7-8/h4-5,7,12-13H,2-3,6H2,1H3
InChIKeyMWHABEGRCSLRDA-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.07
Rot. Bonds5

About N-(3-fluoro-4-hydroxyphenyl)butane-1-sulfonamide

N-(3-fluoro-4-hydroxyphenyl)butane-1-sulfonamide (PubChem CID 64781668) has the molecular formula C10H14FNO3S and a molecular weight of 247.29 g/mol. Its IUPAC name is N-(3-fluoro-4-hydroxyphenyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-hydroxyphenyl)butane-1-sulfonamide
PubChem CID64781668
Molecular FormulaC10H14FNO3S
Molecular Weight247.29 g/mol
Exact Mass247.07
IUPAC NameN-(3-fluoro-4-hydroxyphenyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(O)c(F)c1
InChIInChI=1S/C10H14FNO3S/c1-2-3-6-16(14,15)12-8-4-5-10(13)9(11)7-8/h4-5,7,12-13H,2-3,6H2,1H3
InChIKeyMWHABEGRCSLRDA-UHFFFAOYSA-N
XLogP2.07
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.07
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)butane-1-sulfonamide?
The IUPAC name of N-(3-fluoro-4-hydroxyphenyl)butane-1-sulfonamide (CID 64781668) is N-(3-fluoro-4-hydroxyphenyl)butane-1-sulfonamide.
What is the SMILES notation for N-(3-fluoro-4-hydroxyphenyl)butane-1-sulfonamide?
The canonical SMILES for N-(3-fluoro-4-hydroxyphenyl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc(O)c(F)c1.
What is the InChIKey of N-(3-fluoro-4-hydroxyphenyl)butane-1-sulfonamide?
The InChIKey is MWHABEGRCSLRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3S/c1-2-3-6-16(14,15)12-8-4-5-10(13)9(11)7-8/h4-5,7,12-13H,2-3,6H2,1H3.
What are the key properties of N-(3-fluoro-4-hydroxyphenyl)butane-1-sulfonamide?
N-(3-fluoro-4-hydroxyphenyl)butane-1-sulfonamide has a molecular weight of 247.29 g/mol, XLogP of 2.07, 5 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)butane-1-sulfonamide is sourced from PubChem (CID 64781668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).