N-[(2S)-3-amino-2-hydroxypropyl]-2-fluorobenzenesulfonamide

C9H13FN2O3S — CID 171714587

IUPACN-[(2S)-3-amino-2-hydroxypropyl]-2-fluorobenzenesulfonamide
SMILESNC[C@H](O)CNS(=O)(=O)c1ccccc1F
InChIInChI=1S/C9H13FN2O3S/c10-8-3-1-2-4-9(8)16(14,15)12-6-7(13)5-11/h1-4,7,12-13H,5-6,11H2/t7-/m0/s1
InChIKeyXRJZVFBXOJFVLU-ZETCQYMHSA-N
MW248.28 g/mol
LogP-0.58
Rot. Bonds5

About N-[(2S)-3-amino-2-hydroxypropyl]-2-fluorobenzenesulfonamide

N-[(2S)-3-amino-2-hydroxypropyl]-2-fluorobenzenesulfonamide (PubChem CID 171714587) has the molecular formula C9H13FN2O3S and a molecular weight of 248.28 g/mol. Its IUPAC name is N-[(2S)-3-amino-2-hydroxypropyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-3-amino-2-hydroxypropyl]-2-fluorobenzenesulfonamide
PubChem CID171714587
Molecular FormulaC9H13FN2O3S
Molecular Weight248.28 g/mol
Exact Mass248.06
IUPAC NameN-[(2S)-3-amino-2-hydroxypropyl]-2-fluorobenzenesulfonamide
SMILESNC[C@H](O)CNS(=O)(=O)c1ccccc1F
InChIInChI=1S/C9H13FN2O3S/c10-8-3-1-2-4-9(8)16(14,15)12-6-7(13)5-11/h1-4,7,12-13H,5-6,11H2/t7-/m0/s1
InChIKeyXRJZVFBXOJFVLU-ZETCQYMHSA-N
XLogP-0.58
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-amino-2-hydroxypropyl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-[(2S)-3-amino-2-hydroxypropyl]-2-fluorobenzenesulfonamide (CID 171714587) is N-[(2S)-3-amino-2-hydroxypropyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(2S)-3-amino-2-hydroxypropyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[(2S)-3-amino-2-hydroxypropyl]-2-fluorobenzenesulfonamide is NC[C@H](O)CNS(=O)(=O)c1ccccc1F.
What is the InChIKey of N-[(2S)-3-amino-2-hydroxypropyl]-2-fluorobenzenesulfonamide?
The InChIKey is XRJZVFBXOJFVLU-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13FN2O3S/c10-8-3-1-2-4-9(8)16(14,15)12-6-7(13)5-11/h1-4,7,12-13H,5-6,11H2/t7-/m0/s1.
What are the key properties of N-[(2S)-3-amino-2-hydroxypropyl]-2-fluorobenzenesulfonamide?
N-[(2S)-3-amino-2-hydroxypropyl]-2-fluorobenzenesulfonamide has a molecular weight of 248.28 g/mol, XLogP of -0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-amino-2-hydroxypropyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 171714587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).