3-amino-2,4-difluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide

C13H12F2N2O3S — CID 107733368

IUPAC3-amino-2,4-difluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
SMILESCN(c1ccc(O)cc1)S(=O)(=O)c1ccc(F)c(N)c1F
InChIInChI=1S/C13H12F2N2O3S/c1-17(8-2-4-9(18)5-3-8)21(19,20)11-7-6-10(14)13(16)12(11)15/h2-7,18H,16H2,1H3
InChIKeyNCSHEEWYMPDRPI-UHFFFAOYSA-N
MW314.31 g/mol
LogP2.08
Rot. Bonds3

About 3-amino-2,4-difluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide

3-amino-2,4-difluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide (PubChem CID 107733368) has the molecular formula C13H12F2N2O3S and a molecular weight of 314.31 g/mol. Its IUPAC name is 3-amino-2,4-difluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,4-difluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
PubChem CID107733368
Molecular FormulaC13H12F2N2O3S
Molecular Weight314.31 g/mol
Exact Mass314.05
IUPAC Name3-amino-2,4-difluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
SMILESCN(c1ccc(O)cc1)S(=O)(=O)c1ccc(F)c(N)c1F
InChIInChI=1S/C13H12F2N2O3S/c1-17(8-2-4-9(18)5-3-8)21(19,20)11-7-6-10(14)13(16)12(11)15/h2-7,18H,16H2,1H3
InChIKeyNCSHEEWYMPDRPI-UHFFFAOYSA-N
XLogP2.08
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,4-difluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide?
The IUPAC name of 3-amino-2,4-difluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide (CID 107733368) is 3-amino-2,4-difluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-2,4-difluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-2,4-difluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide is CN(c1ccc(O)cc1)S(=O)(=O)c1ccc(F)c(N)c1F.
What is the InChIKey of 3-amino-2,4-difluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide?
The InChIKey is NCSHEEWYMPDRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O3S/c1-17(8-2-4-9(18)5-3-8)21(19,20)11-7-6-10(14)13(16)12(11)15/h2-7,18H,16H2,1H3.
What are the key properties of 3-amino-2,4-difluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide?
3-amino-2,4-difluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide has a molecular weight of 314.31 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,4-difluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 107733368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).