[4-[(5-fluoro-2-hydroxyphenyl)methylamino]phenyl]methanesulfonamide

C14H15FN2O3S — CID 107694380

IUPAC[4-[(5-fluoro-2-hydroxyphenyl)methylamino]phenyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(NCc2cc(F)ccc2O)cc1
InChIInChI=1S/C14H15FN2O3S/c15-12-3-6-14(18)11(7-12)8-17-13-4-1-10(2-5-13)9-21(16,19)20/h1-7,17-18H,8-9H2,(H2,16,19,20)
InChIKeyHOFRQPUAQMLTAJ-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.93
Rot. Bonds5

About [4-[(5-fluoro-2-hydroxyphenyl)methylamino]phenyl]methanesulfonamide

[4-[(5-fluoro-2-hydroxyphenyl)methylamino]phenyl]methanesulfonamide (PubChem CID 107694380) has the molecular formula C14H15FN2O3S and a molecular weight of 310.35 g/mol. Its IUPAC name is [4-[(5-fluoro-2-hydroxyphenyl)methylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound Name[4-[(5-fluoro-2-hydroxyphenyl)methylamino]phenyl]methanesulfonamide
PubChem CID107694380
Molecular FormulaC14H15FN2O3S
Molecular Weight310.35 g/mol
Exact Mass310.08
IUPAC Name[4-[(5-fluoro-2-hydroxyphenyl)methylamino]phenyl]methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(NCc2cc(F)ccc2O)cc1
InChIInChI=1S/C14H15FN2O3S/c15-12-3-6-14(18)11(7-12)8-17-13-4-1-10(2-5-13)9-21(16,19)20/h1-7,17-18H,8-9H2,(H2,16,19,20)
InChIKeyHOFRQPUAQMLTAJ-UHFFFAOYSA-N
XLogP1.93
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

[4-[(2-hydroxy-5-methylphenyl)methylamino]phenyl]methanesulfonamide
CID 63324512
4-fluoro-2-[(4-propylanilino)methyl]phenol
CID 103947766
[4-[(4-chloro-2-fluorophenyl)methylamino]phenyl]methanesulfonamide
CID 110170598
1-[4-[(5-fluoro-2-hydroxyphenyl)methylamino]phenyl]-3-methylurea
CID 107694378
[4-[(3-bromo-4-fluorophenyl)methylamino]phenyl]methanesulfonamide
CID 43745244
[4-[(2-ethylphenyl)methylamino]phenyl]methanesulfonamide
CID 62391957
4-fluoro-2-[[4-(trifluoromethoxy)anilino]methyl]phenol
CID 103947759
[4-[(4-bromophenyl)methylamino]phenyl]methanesulfonamide
CID 43745169
potassium;(4-fluorophenyl)methanesulfonamide;hydride
CID 175451453
3-[(5-fluoro-2-hydroxyphenyl)methylamino]-2-methylbenzenesulfonamide
CID 107694407
[4-(ethylamino)phenyl]methanesulfonamide
CID 43745283
4-fluoro-N-[4-(sulfamoylmethyl)phenyl]benzamide
CID 24632207

Frequently Asked Questions

What is the IUPAC name of [4-[(5-fluoro-2-hydroxyphenyl)methylamino]phenyl]methanesulfonamide?
The IUPAC name of [4-[(5-fluoro-2-hydroxyphenyl)methylamino]phenyl]methanesulfonamide (CID 107694380) is [4-[(5-fluoro-2-hydroxyphenyl)methylamino]phenyl]methanesulfonamide.
What is the SMILES notation for [4-[(5-fluoro-2-hydroxyphenyl)methylamino]phenyl]methanesulfonamide?
The canonical SMILES for [4-[(5-fluoro-2-hydroxyphenyl)methylamino]phenyl]methanesulfonamide is NS(=O)(=O)Cc1ccc(NCc2cc(F)ccc2O)cc1.
What is the InChIKey of [4-[(5-fluoro-2-hydroxyphenyl)methylamino]phenyl]methanesulfonamide?
The InChIKey is HOFRQPUAQMLTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3S/c15-12-3-6-14(18)11(7-12)8-17-13-4-1-10(2-5-13)9-21(16,19)20/h1-7,17-18H,8-9H2,(H2,16,19,20).
What are the key properties of [4-[(5-fluoro-2-hydroxyphenyl)methylamino]phenyl]methanesulfonamide?
[4-[(5-fluoro-2-hydroxyphenyl)methylamino]phenyl]methanesulfonamide has a molecular weight of 310.35 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-fluoro-2-hydroxyphenyl)methylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 107694380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).