2-amino-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide

C14H15FN2O3S — CID 107733558

IUPAC2-amino-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
SMILESCCN(c1cccc(O)c1)S(=O)(=O)c1cccc(F)c1N
InChIInChI=1S/C14H15FN2O3S/c1-2-17(10-5-3-6-11(18)9-10)21(19,20)13-8-4-7-12(15)14(13)16/h3-9,18H,2,16H2,1H3
InChIKeyXHLVFFJGXHIZEW-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.33
Rot. Bonds4

About 2-amino-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide

2-amino-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide (PubChem CID 107733558) has the molecular formula C14H15FN2O3S and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-amino-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
PubChem CID107733558
Molecular FormulaC14H15FN2O3S
Molecular Weight310.35 g/mol
Exact Mass310.08
IUPAC Name2-amino-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
SMILESCCN(c1cccc(O)c1)S(=O)(=O)c1cccc(F)c1N
InChIInChI=1S/C14H15FN2O3S/c1-2-17(10-5-3-6-11(18)9-10)21(19,20)13-8-4-7-12(15)14(13)16/h3-9,18H,2,16H2,1H3
InChIKeyXHLVFFJGXHIZEW-UHFFFAOYSA-N
XLogP2.33
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-4-hydroxy-N-phenylbenzene-1-sulfonamide
CID 2368773
N-butyl-4-hydroxy-N-phenylbenzenesulfonamide
CID 44407804
4-hydroxy-N-phenyl-N-propylbenzenesulfonamide
CID 44407885
4-hydroxy-N-isopropyl-N-phenylbenzenesulfonamide
CID 44407886
N-allyl-4-hydroxy-N-phenylbenzenesulfonamide
CID 44407887
N-(3-Hydroxyphenyl)benzenesulphonamide
CID 97359
N-(2-fluorophenyl)-4-hydroxy-N-propylbenzenesulfonamide
CID 44407807
N-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 90656672
4-hydroxy-N-methyl-N-phenylbenzenesulfonamide
CID 28300450
2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 2369671
2-(4-Aminophenyl)sulfonyl-5-(ethylamino)phenol
CID 286194
2-(4-Aminophenyl)sulfonyl-5-(propylamino)phenol
CID 298372

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide?
The IUPAC name of 2-amino-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide (CID 107733558) is 2-amino-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide?
The canonical SMILES for 2-amino-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide is CCN(c1cccc(O)c1)S(=O)(=O)c1cccc(F)c1N.
What is the InChIKey of 2-amino-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide?
The InChIKey is XHLVFFJGXHIZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3S/c1-2-17(10-5-3-6-11(18)9-10)21(19,20)13-8-4-7-12(15)14(13)16/h3-9,18H,2,16H2,1H3.
What are the key properties of 2-amino-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide?
2-amino-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide has a molecular weight of 310.35 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 107733558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).