(2S,3S,5R)-2-amino-8-fluoro-3-hydroxy-N,8-dimethyl-1-phenylnonane-5-sulfonamide

C17H29FN2O3S — CID 70013537

IUPAC(2S,3S,5R)-2-amino-8-fluoro-3-hydroxy-N,8-dimethyl-1-phenylnonane-5-sulfonamide
SMILESCNS(=O)(=O)C(CCC(C)(C)F)C[C@H](O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C17H29FN2O3S/c1-17(2,18)10-9-14(24(22,23)20-3)12-16(21)15(19)11-13-7-5-4-6-8-13/h4-8,14-16,20-21H,9-12,19H2,1-3H3/t14?,15-,16-/m0/s1
InChIKeyHOZQGJRHRGUNQJ-YVZMLIKISA-N
MW360.50 g/mol
LogP1.75
Rot. Bonds10

About (2S,3S,5R)-2-amino-8-fluoro-3-hydroxy-N,8-dimethyl-1-phenylnonane-5-sulfonamide

(2S,3S,5R)-2-amino-8-fluoro-3-hydroxy-N,8-dimethyl-1-phenylnonane-5-sulfonamide (PubChem CID 70013537) has the molecular formula C17H29FN2O3S and a molecular weight of 360.50 g/mol. Its IUPAC name is (2S,3S,5R)-2-amino-8-fluoro-3-hydroxy-N,8-dimethyl-1-phenylnonane-5-sulfonamide.

Molecular Properties

Compound Name(2S,3S,5R)-2-amino-8-fluoro-3-hydroxy-N,8-dimethyl-1-phenylnonane-5-sulfonamide
PubChem CID70013537
Molecular FormulaC17H29FN2O3S
Molecular Weight360.50 g/mol
Exact Mass360.19
IUPAC Name(2S,3S,5R)-2-amino-8-fluoro-3-hydroxy-N,8-dimethyl-1-phenylnonane-5-sulfonamide
SMILESCNS(=O)(=O)C(CCC(C)(C)F)C[C@H](O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C17H29FN2O3S/c1-17(2,18)10-9-14(24(22,23)20-3)12-16(21)15(19)11-13-7-5-4-6-8-13/h4-8,14-16,20-21H,9-12,19H2,1-3H3/t14?,15-,16-/m0/s1
InChIKeyHOZQGJRHRGUNQJ-YVZMLIKISA-N
XLogP1.75
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S,3S,5R)-2-amino-8-fluoro-3-hydroxy-N,8-dimethyl-1-phenylnonane-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R,7S)-2-fluoro-7-hydroxy-2-methyl-5-(methylsulfamoyl)-9-phenylnonanamide
CID 173243874
(2R,4S,5S)-5-amino-N-(3,3-dimethylbutyl)-4-hydroxy-2-methyl-6-phenylhexanamide
CID 68890142
(2S,3S,5R)-2,5-diamino-1,6-diphenylhexan-3-ol
CID 22885973
[(2S)-1-[[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid
CID 68792623
(4S,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)-N-methyl-6-phenylhexanamide
CID 57148272
(2S,3S,4S,5S)-2,5-diamino-1,6-diphenylhexane-3,4-diol;bis(2,2,2-trifluoroacetic acid)
CID 24799463
(2S,3R)-2-amino-4,4-dimethyl-1-phenylpentan-3-ol
CID 101132105
(2R,3R)-3-amino-1,1,1-trifluoro-4-phenylbutan-2-ol
CID 28820182
N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide;hydrochloride
CID 87740079
(4S,5S)-5-amino-4-hydroxy-N-(2-methylpropyl)-6-phenylhexanamide
CID 68900392
(2S,3R)-3-amino-4-phenylbutane-1,2-diol
CID 11789833
methyl (3S,4S)-4-amino-3-hydroxy-5-phenylpentanoate
CID 14453007

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5R)-2-amino-8-fluoro-3-hydroxy-N,8-dimethyl-1-phenylnonane-5-sulfonamide?
The IUPAC name of (2S,3S,5R)-2-amino-8-fluoro-3-hydroxy-N,8-dimethyl-1-phenylnonane-5-sulfonamide (CID 70013537) is (2S,3S,5R)-2-amino-8-fluoro-3-hydroxy-N,8-dimethyl-1-phenylnonane-5-sulfonamide.
What is the SMILES notation for (2S,3S,5R)-2-amino-8-fluoro-3-hydroxy-N,8-dimethyl-1-phenylnonane-5-sulfonamide?
The canonical SMILES for (2S,3S,5R)-2-amino-8-fluoro-3-hydroxy-N,8-dimethyl-1-phenylnonane-5-sulfonamide is CNS(=O)(=O)C(CCC(C)(C)F)C[C@H](O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S,3S,5R)-2-amino-8-fluoro-3-hydroxy-N,8-dimethyl-1-phenylnonane-5-sulfonamide?
The InChIKey is HOZQGJRHRGUNQJ-YVZMLIKISA-N. The full InChI is InChI=1S/C17H29FN2O3S/c1-17(2,18)10-9-14(24(22,23)20-3)12-16(21)15(19)11-13-7-5-4-6-8-13/h4-8,14-16,20-21H,9-12,19H2,1-3H3/t14?,15-,16-/m0/s1.
What are the key properties of (2S,3S,5R)-2-amino-8-fluoro-3-hydroxy-N,8-dimethyl-1-phenylnonane-5-sulfonamide?
(2S,3S,5R)-2-amino-8-fluoro-3-hydroxy-N,8-dimethyl-1-phenylnonane-5-sulfonamide has a molecular weight of 360.50 g/mol, XLogP of 1.75, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5R)-2-amino-8-fluoro-3-hydroxy-N,8-dimethyl-1-phenylnonane-5-sulfonamide is sourced from PubChem (CID 70013537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).