N-(3-amino-2-hydroxypropyl)-2-fluorobenzenesulfonamide

C9H13FN2O3S — CID 177376824

IUPACN-(3-amino-2-hydroxypropyl)-2-fluorobenzenesulfonamide
SMILESNCC(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
InChIKeyXRJZVFBXOJFVLU-UHFFFAOYSA-N
MW248.28 g/mol
LogP-0.58
Rot. Bonds5

About N-(3-amino-2-hydroxypropyl)-2-fluorobenzenesulfonamide

N-(3-amino-2-hydroxypropyl)-2-fluorobenzenesulfonamide (PubChem CID 177376824) has the molecular formula C9H13FN2O3S and a molecular weight of 248.28 g/mol. Its IUPAC name is N-(3-amino-2-hydroxypropyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxypropyl)-2-fluorobenzenesulfonamide
PubChem CID177376824
Molecular FormulaC9H13FN2O3S
Molecular Weight248.28 g/mol
Exact Mass248.06
IUPAC NameN-(3-amino-2-hydroxypropyl)-2-fluorobenzenesulfonamide
SMILESNCC(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
InChIKeyXRJZVFBXOJFVLU-UHFFFAOYSA-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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Related Compounds

N-[(2R)-3-amino-2-hydroxypropyl]-2-fluorobenzenesulfonamide
CID 171714588
N-(2,3-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 64570507
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90496558
2-amino-3-fluoro-N-(2-hydroxy-4,4-dimethylpentyl)benzenesulfonamide
CID 107150701
2-fluoro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide
CID 97416938
N-(3-amino-2-hydroxypropyl)pyridine-2-sulfonamide
CID 71422369
2-fluoro-N-(2-methylsulfinylpropyl)benzenesulfonamide
CID 115763664
N-(5-amino-4-methylpentyl)-2-fluorobenzenesulfonamide
CID 106154282
5-amino-N-(2,3-dihydroxypropyl)-2-fluorobenzenesulfonamide
CID 66175882
5-[(2-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 82683197
N-[[4-(2-aminoethyl)phenyl]methyl]-2-fluorobenzenesulfonamide
CID 62502665
N-(2-aminoethyl)-3-[(2-fluorophenyl)sulfonylamino]propanamide
CID 119385406

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxypropyl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-(3-amino-2-hydroxypropyl)-2-fluorobenzenesulfonamide (CID 177376824) is N-(3-amino-2-hydroxypropyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3-amino-2-hydroxypropyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(3-amino-2-hydroxypropyl)-2-fluorobenzenesulfonamide is NCC(O)CNS(=O)(=O)c1ccccc1F.
What is the InChIKey of N-(3-amino-2-hydroxypropyl)-2-fluorobenzenesulfonamide?
The InChIKey is XRJZVFBXOJFVLU-UHFFFAOYSA-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.
What are the key properties of N-(3-amino-2-hydroxypropyl)-2-fluorobenzenesulfonamide?
N-(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-(3-amino-2-hydroxypropyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 177376824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).