2,5-difluoro-N-[(2S)-2-hydroxypropyl]-N-phenylbenzenesulfonamide

C15H15F2NO3S — CID 94824462

IUPAC2,5-difluoro-N-[(2S)-2-hydroxypropyl]-N-phenylbenzenesulfonamide
SMILESC[C@H](O)CN(c1ccccc1)S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C15H15F2NO3S/c1-11(19)10-18(13-5-3-2-4-6-13)22(20,21)15-9-12(16)7-8-14(15)17/h2-9,11,19H,10H2,1H3/t11-/m0/s1
InChIKeyRJQIUFMJBFCRDB-NSHDSACASA-N
MW327.35 g/mol
LogP2.54
Rot. Bonds5

About 2,5-difluoro-N-[(2S)-2-hydroxypropyl]-N-phenylbenzenesulfonamide

2,5-difluoro-N-[(2S)-2-hydroxypropyl]-N-phenylbenzenesulfonamide (PubChem CID 94824462) has the molecular formula C15H15F2NO3S and a molecular weight of 327.35 g/mol. Its IUPAC name is 2,5-difluoro-N-[(2S)-2-hydroxypropyl]-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[(2S)-2-hydroxypropyl]-N-phenylbenzenesulfonamide
PubChem CID94824462
Molecular FormulaC15H15F2NO3S
Molecular Weight327.35 g/mol
Exact Mass327.07
IUPAC Name2,5-difluoro-N-[(2S)-2-hydroxypropyl]-N-phenylbenzenesulfonamide
SMILESC[C@H](O)CN(c1ccccc1)S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C15H15F2NO3S/c1-11(19)10-18(13-5-3-2-4-6-13)22(20,21)15-9-12(16)7-8-14(15)17/h2-9,11,19H,10H2,1H3/t11-/m0/s1
InChIKeyRJQIUFMJBFCRDB-NSHDSACASA-N
XLogP2.54
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2,5-difluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 103223870
N-benzyl-2,5-difluoro-N-propan-2-ylbenzenesulfonamide
CID 60516930
N-[(2R)-2-hydroxypropyl]-4,5-dimethyl-N-phenylthiophene-2-sulfonamide
CID 97108754
(2R)-1-[N-(dimethylsulfamoyl)anilino]propan-2-ol
CID 97317746
N-(1-bromopropan-2-yl)-2,5-difluoro-N-methylbenzenesulfonamide
CID 104556434
N-(4-aminophenyl)-N-ethyl-2,5-difluorobenzenesulfonamide
CID 63233568
N-[(2S)-2-hydroxypropyl]-4-methoxy-N-phenylbenzenesulfonamide
CID 94818649
2,5-difluoro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030725
N-(4-fluorophenyl)-N-(2-methylpropyl)benzenesulfonamide
CID 138798374
2-amino-N-ethyl-4-fluoro-N-phenylbenzenesulfonamide
CID 28514650
2,5-difluoro-N-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 60589332
1-[(2,5-difluorophenyl)methyl-propan-2-ylamino]propan-2-ol
CID 111107872

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[(2S)-2-hydroxypropyl]-N-phenylbenzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[(2S)-2-hydroxypropyl]-N-phenylbenzenesulfonamide (CID 94824462) is 2,5-difluoro-N-[(2S)-2-hydroxypropyl]-N-phenylbenzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[(2S)-2-hydroxypropyl]-N-phenylbenzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[(2S)-2-hydroxypropyl]-N-phenylbenzenesulfonamide is C[C@H](O)CN(c1ccccc1)S(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[(2S)-2-hydroxypropyl]-N-phenylbenzenesulfonamide?
The InChIKey is RJQIUFMJBFCRDB-NSHDSACASA-N. The full InChI is InChI=1S/C15H15F2NO3S/c1-11(19)10-18(13-5-3-2-4-6-13)22(20,21)15-9-12(16)7-8-14(15)17/h2-9,11,19H,10H2,1H3/t11-/m0/s1.
What are the key properties of 2,5-difluoro-N-[(2S)-2-hydroxypropyl]-N-phenylbenzenesulfonamide?
2,5-difluoro-N-[(2S)-2-hydroxypropyl]-N-phenylbenzenesulfonamide has a molecular weight of 327.35 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[(2S)-2-hydroxypropyl]-N-phenylbenzenesulfonamide is sourced from PubChem (CID 94824462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).