4-amino-2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide

C13H13FN2O3S — CID 107733356

IUPAC4-amino-2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
SMILESCN(c1ccc(O)cc1)S(=O)(=O)c1ccc(N)cc1F
InChIInChI=1S/C13H13FN2O3S/c1-16(10-3-5-11(17)6-4-10)20(18,19)13-7-2-9(15)8-12(13)14/h2-8,17H,15H2,1H3
InChIKeyLEDTVHJQVFSTNH-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.94
Rot. Bonds3

About 4-amino-2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide

4-amino-2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide (PubChem CID 107733356) has the molecular formula C13H13FN2O3S and a molecular weight of 296.32 g/mol. Its IUPAC name is 4-amino-2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
PubChem CID107733356
Molecular FormulaC13H13FN2O3S
Molecular Weight296.32 g/mol
Exact Mass296.06
IUPAC Name4-amino-2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
SMILESCN(c1ccc(O)cc1)S(=O)(=O)c1ccc(N)cc1F
InChIInChI=1S/C13H13FN2O3S/c1-16(10-3-5-11(17)6-4-10)20(18,19)13-7-2-9(15)8-12(13)14/h2-8,17H,15H2,1H3
InChIKeyLEDTVHJQVFSTNH-UHFFFAOYSA-N
XLogP1.94
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.94
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

3-amino-2,4-difluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107733368
2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 2369671
5-amino-N-(4-hydroxyphenyl)-2-methoxy-N-methylbenzenesulfonamide
CID 107733405
2-amino-5-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107733378
5-amino-2-bromo-N-(4-fluorophenyl)-N-methylbenzenesulfonamide
CID 65207218
3-amino-5-chloro-2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107733389
5-amino-2,3-difluoro-N-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 65020931
N-(3-aminophenyl)-4-bromo-2-fluoro-N-methylbenzenesulfonamide
CID 116527243
N-(4-cyanophenyl)-2,4-difluoro-N-methylbenzenesulfonamide
CID 62983286
3-fluoro-4-(trifluoromethylsulfonyl)aniline
CID 81192069
5-amino-2-bromo-N-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 65206643
4-amino-2-fluoro-N',N'-dimethylbenzenesulfonohydrazide
CID 83012823

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide (CID 107733356) is 4-amino-2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide is CN(c1ccc(O)cc1)S(=O)(=O)c1ccc(N)cc1F.
What is the InChIKey of 4-amino-2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide?
The InChIKey is LEDTVHJQVFSTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3S/c1-16(10-3-5-11(17)6-4-10)20(18,19)13-7-2-9(15)8-12(13)14/h2-8,17H,15H2,1H3.
What are the key properties of 4-amino-2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide?
4-amino-2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide has a molecular weight of 296.32 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 107733356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).