2-fluoro-N-[(2R)-2-hydroxypropyl]-6-phenylbenzenesulfonamide

C15H16FNO3S — CID 90320120

IUPAC2-fluoro-N-[(2R)-2-hydroxypropyl]-6-phenylbenzenesulfonamide
SMILESC[C@@H](O)CNS(=O)(=O)c1c(F)cccc1-c1ccccc1
InChIInChI=1S/C15H16FNO3S/c1-11(18)10-17-21(19,20)15-13(8-5-9-14(15)16)12-6-3-2-4-7-12/h2-9,11,17-18H,10H2,1H3/t11-/m1/s1
InChIKeyOWPIAWVGLHFDRJ-LLVKDONJSA-N
MW309.36 g/mol
LogP2.15
Rot. Bonds5

About 2-fluoro-N-[(2R)-2-hydroxypropyl]-6-phenylbenzenesulfonamide

2-fluoro-N-[(2R)-2-hydroxypropyl]-6-phenylbenzenesulfonamide (PubChem CID 90320120) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is 2-fluoro-N-[(2R)-2-hydroxypropyl]-6-phenylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[(2R)-2-hydroxypropyl]-6-phenylbenzenesulfonamide
PubChem CID90320120
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC Name2-fluoro-N-[(2R)-2-hydroxypropyl]-6-phenylbenzenesulfonamide
SMILESC[C@@H](O)CNS(=O)(=O)c1c(F)cccc1-c1ccccc1
InChIInChI=1S/C15H16FNO3S/c1-11(18)10-17-21(19,20)15-13(8-5-9-14(15)16)12-6-3-2-4-7-12/h2-9,11,17-18H,10H2,1H3/t11-/m1/s1
InChIKeyOWPIAWVGLHFDRJ-LLVKDONJSA-N
XLogP2.15
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-trifluoro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 83030525
2,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide
CID 107271298
3-fluoro-N-[(2R)-2-hydroxypropyl]-2-nitrobenzenesulfonamide
CID 113345507
3-fluoro-N-(2-hydroxypropyl)-2-nitrobenzenesulfonamide
CID 112702783
N-(2-hydroxypropyl)-2-iodobenzenesulfonamide
CID 167755132
4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43394414
2-amino-N-(2,2-difluoroethyl)-6-fluorobenzenesulfonamide
CID 115405345
2,5-difluoro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030725
N-[2-(dimethylamino)-3-phenylpropyl]-2,6-difluorobenzenesulfonamide
CID 51169617
2,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 79027694
2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 90314186
3-amino-4-fluoro-N-[(2R)-2-hydroxypropyl]-2,6-dimethylbenzenesulfonamide
CID 107326349

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2R)-2-hydroxypropyl]-6-phenylbenzenesulfonamide?
The IUPAC name of 2-fluoro-N-[(2R)-2-hydroxypropyl]-6-phenylbenzenesulfonamide (CID 90320120) is 2-fluoro-N-[(2R)-2-hydroxypropyl]-6-phenylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[(2R)-2-hydroxypropyl]-6-phenylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[(2R)-2-hydroxypropyl]-6-phenylbenzenesulfonamide is C[C@@H](O)CNS(=O)(=O)c1c(F)cccc1-c1ccccc1.
What is the InChIKey of 2-fluoro-N-[(2R)-2-hydroxypropyl]-6-phenylbenzenesulfonamide?
The InChIKey is OWPIAWVGLHFDRJ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-11(18)10-17-21(19,20)15-13(8-5-9-14(15)16)12-6-3-2-4-7-12/h2-9,11,17-18H,10H2,1H3/t11-/m1/s1.
What are the key properties of 2-fluoro-N-[(2R)-2-hydroxypropyl]-6-phenylbenzenesulfonamide?
2-fluoro-N-[(2R)-2-hydroxypropyl]-6-phenylbenzenesulfonamide has a molecular weight of 309.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2R)-2-hydroxypropyl]-6-phenylbenzenesulfonamide is sourced from PubChem (CID 90320120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).