2-fluoro-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide

C18H23FN2O3S — CID 12952430

IUPAC2-fluoro-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide
SMILESCC(CCc1ccccc1)NCC(O)c1ccc(F)c(S(N)(=O)=O)c1
InChIInChI=1S/C18H23FN2O3S/c1-13(7-8-14-5-3-2-4-6-14)21-12-17(22)15-9-10-16(19)18(11-15)25(20,23)24/h2-6,9-11,13,17,21-22H,7-8,12H2,1H3,(H2,20,23,24)
InChIKeyKAQAYALKCDNOSF-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.12
Rot. Bonds8

About 2-fluoro-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide

2-fluoro-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide (PubChem CID 12952430) has the molecular formula C18H23FN2O3S and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-fluoro-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide
PubChem CID12952430
Molecular FormulaC18H23FN2O3S
Molecular Weight366.46 g/mol
Exact Mass366.14
IUPAC Name2-fluoro-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide
SMILESCC(CCc1ccccc1)NCC(O)c1ccc(F)c(S(N)(=O)=O)c1
InChIInChI=1S/C18H23FN2O3S/c1-13(7-8-14-5-3-2-4-6-14)21-12-17(22)15-9-10-16(19)18(11-15)25(20,23)24/h2-6,9-11,13,17,21-22H,7-8,12H2,1H3,(H2,20,23,24)
InChIKeyKAQAYALKCDNOSF-UHFFFAOYSA-N
XLogP2.12
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-Hydroxy-2-phenyl-ethyl)-4-methyl-benzenesulfonamide
CID 2812775
2-[4-(2-Fluorophenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 4875268
4-[2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]propyl]-N,N-di(propan-2-yl)benzenesulfonamide;hydrochloride
CID 44522776
N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]benzenesulfonamide
CID 21426686
N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-1-phenylmethanesulfonamide
CID 21426687
1-(4-Fluorophenyl)-4-[2-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-ol
CID 10788272
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-2,5-dimethylbenzenesulfonamide
CID 56765476
(S)-3-(4-fluoro-2-tolylsulfonylamino)-1-phenyl-1-propanol
CID 97038599
(S)-1-phenyl-3-[m-(trifluoromethyl)phenylsulfonylamino]-1-propanol
CID 97038632
4-fluoro-N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-3-methylbenzenesulfonamide
CID 56765479
N-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-4-methyl-N-prop-2-ynylbenzenesulfonamide
CID 135004079
N-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxy-4-methylpentan-2-yl]-4-methyl-N-prop-2-ynylbenzenesulfonamide
CID 135070158

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide (CID 12952430) is 2-fluoro-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide is CC(CCc1ccccc1)NCC(O)c1ccc(F)c(S(N)(=O)=O)c1.
What is the InChIKey of 2-fluoro-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide?
The InChIKey is KAQAYALKCDNOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3S/c1-13(7-8-14-5-3-2-4-6-14)21-12-17(22)15-9-10-16(19)18(11-15)25(20,23)24/h2-6,9-11,13,17,21-22H,7-8,12H2,1H3,(H2,20,23,24).
What are the key properties of 2-fluoro-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide?
2-fluoro-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide has a molecular weight of 366.46 g/mol, XLogP of 2.12, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 12952430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).