1-(2,5-difluorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]methanesulfonamide

C18H21F2NO3S — CID 95986127

IUPAC1-(2,5-difluorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]methanesulfonamide
SMILESC[C@](O)(CCc1ccccc1)CNS(=O)(=O)Cc1cc(F)ccc1F
InChIInChI=1S/C18H21F2NO3S/c1-18(22,10-9-14-5-3-2-4-6-14)13-21-25(23,24)12-15-11-16(19)7-8-17(15)20/h2-8,11,21-22H,9-10,12-13H2,1H3/t18-/m0/s1
InChIKeyNJFNJXLRCNXWLL-SFHVURJKSA-N
MW369.43 g/mol
LogP2.77
Rot. Bonds8

About 1-(2,5-difluorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]methanesulfonamide

1-(2,5-difluorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]methanesulfonamide (PubChem CID 95986127) has the molecular formula C18H21F2NO3S and a molecular weight of 369.43 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]methanesulfonamide
PubChem CID95986127
Molecular FormulaC18H21F2NO3S
Molecular Weight369.43 g/mol
Exact Mass369.12
IUPAC Name1-(2,5-difluorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]methanesulfonamide
SMILESC[C@](O)(CCc1ccccc1)CNS(=O)(=O)Cc1cc(F)ccc1F
InChIInChI=1S/C18H21F2NO3S/c1-18(22,10-9-14-5-3-2-4-6-14)13-21-25(23,24)12-15-11-16(19)7-8-17(15)20/h2-8,11,21-22H,9-10,12-13H2,1H3/t18-/m0/s1
InChIKeyNJFNJXLRCNXWLL-SFHVURJKSA-N
XLogP2.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)methanesulfonamide
CID 90498609
3-chloro-4-fluoro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzenesulfonamide
CID 90498613
1-(2,5-difluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]methanesulfonamide
CID 71796929
N-(2-hydroxy-2-methyl-4-phenylbutyl)benzenesulfonamide
CID 90498566
N-(2-hydroxy-2-methyl-4-phenylbutyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 90498631
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-phenylethanesulfonamide
CID 103697669
1-(3-fluorophenyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)methanesulfonamide
CID 56724259
N'-(3,4-difluorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
CID 90498678
2-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]acetamide
CID 52906943
4-(benzylsulfonylamino)-3-hydroxy-3-methylbutanoic acid
CID 66001767
2,5-difluoro-N-(3-phenylpropyl)benzenesulfonamide
CID 19680937
1-(4-fluorophenyl)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]methanesulfonamide
CID 95984165

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]methanesulfonamide?
The IUPAC name of 1-(2,5-difluorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]methanesulfonamide (CID 95986127) is 1-(2,5-difluorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]methanesulfonamide.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]methanesulfonamide?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]methanesulfonamide is C[C@](O)(CCc1ccccc1)CNS(=O)(=O)Cc1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]methanesulfonamide?
The InChIKey is NJFNJXLRCNXWLL-SFHVURJKSA-N. The full InChI is InChI=1S/C18H21F2NO3S/c1-18(22,10-9-14-5-3-2-4-6-14)13-21-25(23,24)12-15-11-16(19)7-8-17(15)20/h2-8,11,21-22H,9-10,12-13H2,1H3/t18-/m0/s1.
What are the key properties of 1-(2,5-difluorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]methanesulfonamide?
1-(2,5-difluorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]methanesulfonamide has a molecular weight of 369.43 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]methanesulfonamide is sourced from PubChem (CID 95986127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).