N-(3,4-difluoro-2-hydroxyphenyl)-1-phenylmethanesulfonamide

C13H11F2NO3S — CID 69009630

IUPACN-(3,4-difluoro-2-hydroxyphenyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1ccc(F)c(F)c1O
InChIInChI=1S/C13H11F2NO3S/c14-10-6-7-11(13(17)12(10)15)16-20(18,19)8-9-4-2-1-3-5-9/h1-7,16-17H,8H2
InChIKeyAPTHTYCOZCWDRW-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.61
Rot. Bonds4

About N-(3,4-difluoro-2-hydroxyphenyl)-1-phenylmethanesulfonamide

N-(3,4-difluoro-2-hydroxyphenyl)-1-phenylmethanesulfonamide (PubChem CID 69009630) has the molecular formula C13H11F2NO3S and a molecular weight of 299.30 g/mol. Its IUPAC name is N-(3,4-difluoro-2-hydroxyphenyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(3,4-difluoro-2-hydroxyphenyl)-1-phenylmethanesulfonamide
PubChem CID69009630
Molecular FormulaC13H11F2NO3S
Molecular Weight299.30 g/mol
Exact Mass299.04
IUPAC NameN-(3,4-difluoro-2-hydroxyphenyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1ccc(F)c(F)c1O
InChIInChI=1S/C13H11F2NO3S/c14-10-6-7-11(13(17)12(10)15)16-20(18,19)8-9-4-2-1-3-5-9/h1-7,16-17H,8H2
InChIKeyAPTHTYCOZCWDRW-UHFFFAOYSA-N
XLogP2.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluorophenyl)-1-phenylmethanesulfonamide
CID 669256
N-(2,3,4,5,6-pentafluorophenyl)-1-phenylmethanesulfonamide
CID 17374357
1-(3-aminophenyl)-N-(2,3,4-trifluorophenyl)methanesulfonamide
CID 43256402
N-(2-bromo-4-fluorophenyl)-1-phenylmethanesulfonamide
CID 28939221
2-[3-(benzylsulfonylamino)-2,6-difluorophenyl]-N-(pyridin-4-ylmethyl)acetamide
CID 11059085
N-(5-ethyl-2-fluoro-4-methylphenyl)-1-phenylmethanesulfonamide
CID 170149320
N-(5-bromo-4-fluoro-2-methylphenyl)-1-phenylmethanesulfonamide
CID 107592640
N-(5-chloro-2-methylphenyl)-1-phenylmethanesulfonamide
CID 788792
N-(2-benzylphenyl)-1-phenylmethanesulfonamide
CID 8514129
1-[4-(aminomethyl)phenyl]-N-(2-fluorophenyl)methanesulfonamide
CID 29291585
2-[3-(benzylsulfonylamino)-2,6-difluorophenyl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 11005226
1-phenyl-N-[(3,4,5-trifluorophenyl)methyl]methanesulfonamide
CID 3761631

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluoro-2-hydroxyphenyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(3,4-difluoro-2-hydroxyphenyl)-1-phenylmethanesulfonamide (CID 69009630) is N-(3,4-difluoro-2-hydroxyphenyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(3,4-difluoro-2-hydroxyphenyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(3,4-difluoro-2-hydroxyphenyl)-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)Nc1ccc(F)c(F)c1O.
What is the InChIKey of N-(3,4-difluoro-2-hydroxyphenyl)-1-phenylmethanesulfonamide?
The InChIKey is APTHTYCOZCWDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO3S/c14-10-6-7-11(13(17)12(10)15)16-20(18,19)8-9-4-2-1-3-5-9/h1-7,16-17H,8H2.
What are the key properties of N-(3,4-difluoro-2-hydroxyphenyl)-1-phenylmethanesulfonamide?
N-(3,4-difluoro-2-hydroxyphenyl)-1-phenylmethanesulfonamide has a molecular weight of 299.30 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluoro-2-hydroxyphenyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 69009630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).