N-[(1R)-1-[4-[4-[(1R,2S)-2-amino-3-fluoro-1-hydroxypropyl]phenyl]phenyl]ethyl]methanesulfonamide

C18H23FN2O3S — CID 163970915

IUPACN-[(1R)-1-[4-[4-[(1R,2S)-2-amino-3-fluoro-1-hydroxypropyl]phenyl]phenyl]ethyl]methanesulfonamide
SMILESC[C@@H](NS(C)(=O)=O)c1ccc(-c2ccc([C@@H](O)[C@H](N)CF)cc2)cc1
InChIInChI=1S/C18H23FN2O3S/c1-12(21-25(2,23)24)13-3-5-14(6-4-13)15-7-9-16(10-8-15)18(22)17(20)11-19/h3-10,12,17-18,21-22H,11,20H2,1-2H3/t12-,17-,18-/m1/s1
InChIKeySPXOPYDKWZJFFW-NXOUGTEYSA-N
MW366.46 g/mol
LogP2.29
Rot. Bonds7

About N-[(1R)-1-[4-[4-[(1R,2S)-2-amino-3-fluoro-1-hydroxypropyl]phenyl]phenyl]ethyl]methanesulfonamide

N-[(1R)-1-[4-[4-[(1R,2S)-2-amino-3-fluoro-1-hydroxypropyl]phenyl]phenyl]ethyl]methanesulfonamide (PubChem CID 163970915) has the molecular formula C18H23FN2O3S and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[(1R)-1-[4-[4-[(1R,2S)-2-amino-3-fluoro-1-hydroxypropyl]phenyl]phenyl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-[4-[(1R,2S)-2-amino-3-fluoro-1-hydroxypropyl]phenyl]phenyl]ethyl]methanesulfonamide
PubChem CID163970915
Molecular FormulaC18H23FN2O3S
Molecular Weight366.46 g/mol
Exact Mass366.14
IUPAC NameN-[(1R)-1-[4-[4-[(1R,2S)-2-amino-3-fluoro-1-hydroxypropyl]phenyl]phenyl]ethyl]methanesulfonamide
SMILESC[C@@H](NS(C)(=O)=O)c1ccc(-c2ccc([C@@H](O)[C@H](N)CF)cc2)cc1
InChIInChI=1S/C18H23FN2O3S/c1-12(21-25(2,23)24)13-3-5-14(6-4-13)15-7-9-16(10-8-15)18(22)17(20)11-19/h3-10,12,17-18,21-22H,11,20H2,1-2H3/t12-,17-,18-/m1/s1
InChIKeySPXOPYDKWZJFFW-NXOUGTEYSA-N
XLogP2.29
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-[4-[4-[(1R,2S)-2-amino-3-fluoro-1-hydroxypropyl]phenyl]phenyl]ethyl]methanesulfonamide with MolForge

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Related Compounds

(2S)-2-amino-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol
CID 69143338
(1R)-2-amino-3-fluoro-1-[4-(methylsulfonimidoyl)phenyl]propan-1-ol
CID 134222109
2,2-dichloro-N-[3-fluoro-1-hydroxy-1-[4-[6-[1-(methanesulfonamido)ethyl]-3-pyridinyl]phenyl]propan-2-yl]acetamide
CID 123653877
2-amino-1-(4-ethylphenyl)-3-fluoropropan-1-ol
CID 123193728
(1S,2R)-2-amino-3-fluoro-1-(4-iodophenyl)propan-1-ol
CID 124657692
N-[(1R)-1-(4-formylphenyl)ethyl]methanesulfonamide
CID 86691231
N-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 81363887
(1R,2S)-2-amino-3-fluoro-1-(4-pyridin-3-ylphenyl)propan-1-ol
CID 71050048
(1R,2S)-2-amino-3-fluoro-1-[4-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)phenyl]propan-1-ol
CID 71050144
N-[1-(4-propan-2-yloxyphenyl)ethyl]methanesulfonamide
CID 47319168
N-[1-(3,4-difluorophenyl)ethyl]methanesulfonamide
CID 47121816
(1R,2S)-2-amino-1-(4-methylsulfonylphenyl)propane-1,3-diol
CID 12936087

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-[4-[(1R,2S)-2-amino-3-fluoro-1-hydroxypropyl]phenyl]phenyl]ethyl]methanesulfonamide?
The IUPAC name of N-[(1R)-1-[4-[4-[(1R,2S)-2-amino-3-fluoro-1-hydroxypropyl]phenyl]phenyl]ethyl]methanesulfonamide (CID 163970915) is N-[(1R)-1-[4-[4-[(1R,2S)-2-amino-3-fluoro-1-hydroxypropyl]phenyl]phenyl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[(1R)-1-[4-[4-[(1R,2S)-2-amino-3-fluoro-1-hydroxypropyl]phenyl]phenyl]ethyl]methanesulfonamide?
The canonical SMILES for N-[(1R)-1-[4-[4-[(1R,2S)-2-amino-3-fluoro-1-hydroxypropyl]phenyl]phenyl]ethyl]methanesulfonamide is C[C@@H](NS(C)(=O)=O)c1ccc(-c2ccc([C@@H](O)[C@H](N)CF)cc2)cc1.
What is the InChIKey of N-[(1R)-1-[4-[4-[(1R,2S)-2-amino-3-fluoro-1-hydroxypropyl]phenyl]phenyl]ethyl]methanesulfonamide?
The InChIKey is SPXOPYDKWZJFFW-NXOUGTEYSA-N. The full InChI is InChI=1S/C18H23FN2O3S/c1-12(21-25(2,23)24)13-3-5-14(6-4-13)15-7-9-16(10-8-15)18(22)17(20)11-19/h3-10,12,17-18,21-22H,11,20H2,1-2H3/t12-,17-,18-/m1/s1.
What are the key properties of N-[(1R)-1-[4-[4-[(1R,2S)-2-amino-3-fluoro-1-hydroxypropyl]phenyl]phenyl]ethyl]methanesulfonamide?
N-[(1R)-1-[4-[4-[(1R,2S)-2-amino-3-fluoro-1-hydroxypropyl]phenyl]phenyl]ethyl]methanesulfonamide has a molecular weight of 366.46 g/mol, XLogP of 2.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-[4-[(1R,2S)-2-amino-3-fluoro-1-hydroxypropyl]phenyl]phenyl]ethyl]methanesulfonamide is sourced from PubChem (CID 163970915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).