4-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]benzenesulfonamide

C14H15FN2O3S — CID 63066353

IUPAC4-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]benzenesulfonamide
SMILESCC(Nc1ccc(S(N)(=O)=O)cc1)c1ccc(F)cc1O
InChIInChI=1S/C14H15FN2O3S/c1-9(13-7-2-10(15)8-14(13)18)17-11-3-5-12(6-4-11)21(16,19)20/h2-9,17-18H,1H3,(H2,16,19,20)
InChIKeyVGPGJBRSSPHDKH-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.35
Rot. Bonds4

About 4-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]benzenesulfonamide

4-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]benzenesulfonamide (PubChem CID 63066353) has the molecular formula C14H15FN2O3S and a molecular weight of 310.35 g/mol. Its IUPAC name is 4-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]benzenesulfonamide
PubChem CID63066353
Molecular FormulaC14H15FN2O3S
Molecular Weight310.35 g/mol
Exact Mass310.08
IUPAC Name4-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]benzenesulfonamide
SMILESCC(Nc1ccc(S(N)(=O)=O)cc1)c1ccc(F)cc1O
InChIInChI=1S/C14H15FN2O3S/c1-9(13-7-2-10(15)8-14(13)18)17-11-3-5-12(6-4-11)21(16,19)20/h2-9,17-18H,1H3,(H2,16,19,20)
InChIKeyVGPGJBRSSPHDKH-UHFFFAOYSA-N
XLogP2.35
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.35
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

5-fluoro-2-[1-(4-iodoanilino)ethyl]phenol
CID 63065839
5-fluoro-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol
CID 63065466
2-[1-(4-ethoxyanilino)ethyl]-5-fluorophenol
CID 63066351
5-fluoro-2-[1-(4-propoxyanilino)ethyl]phenol
CID 63068191
2-chloro-5-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]benzoic acid
CID 63064819
2-[1-(4-chloro-3-nitroanilino)ethyl]-5-fluorophenol
CID 63066576
2-[1-(3-chloro-5-fluoroanilino)ethyl]-5-fluorophenol
CID 104584071
2-[1-(4-bromo-3,5-dimethylanilino)ethyl]-5-fluorophenol
CID 107572030
5-fluoro-2-[1-(thiophen-3-ylamino)ethyl]phenol
CID 66352112
2-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]ethanesulfonamide
CID 63064431
5-fluoro-2-[1-(3-methoxyanilino)ethyl]phenol
CID 55146491
N-[1-(2,4-difluorophenyl)ethyl]-4-fluoroaniline
CID 43194675

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]benzenesulfonamide?
The IUPAC name of 4-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]benzenesulfonamide (CID 63066353) is 4-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]benzenesulfonamide.
What is the SMILES notation for 4-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]benzenesulfonamide?
The canonical SMILES for 4-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]benzenesulfonamide is CC(Nc1ccc(S(N)(=O)=O)cc1)c1ccc(F)cc1O.
What is the InChIKey of 4-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]benzenesulfonamide?
The InChIKey is VGPGJBRSSPHDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3S/c1-9(13-7-2-10(15)8-14(13)18)17-11-3-5-12(6-4-11)21(16,19)20/h2-9,17-18H,1H3,(H2,16,19,20).
What are the key properties of 4-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]benzenesulfonamide?
4-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]benzenesulfonamide has a molecular weight of 310.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]benzenesulfonamide is sourced from PubChem (CID 63066353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).