2-amino-5-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide

C9H13FN2O3S — CID 93398317

IUPAC2-amino-5-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
SMILESC[C@H](CO)NS(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C9H13FN2O3S/c1-6(5-13)12-16(14,15)9-4-7(10)2-3-8(9)11/h2-4,6,12-13H,5,11H2,1H3/t6-/m1/s1
InChIKeyRVGFPKCKVLTOLM-ZCFIWIBFSA-N
MW248.28 g/mol
LogP0.07
Rot. Bonds4

About 2-amino-5-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide

2-amino-5-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide (PubChem CID 93398317) has the molecular formula C9H13FN2O3S and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
PubChem CID93398317
Molecular FormulaC9H13FN2O3S
Molecular Weight248.28 g/mol
Exact Mass248.06
IUPAC Name2-amino-5-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
SMILESC[C@H](CO)NS(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C9H13FN2O3S/c1-6(5-13)12-16(14,15)9-4-7(10)2-3-8(9)11/h2-4,6,12-13H,5,11H2,1H3/t6-/m1/s1
InChIKeyRVGFPKCKVLTOLM-ZCFIWIBFSA-N
XLogP0.07
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-fluoro-N-hexan-2-ylbenzenesulfonamide
CID 62196910
2,4-difluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502106
2-[(2-amino-5-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 54950967
N-[(2R)-1-aminopropan-2-yl]-2,5-difluorobenzenesulfonamide
CID 104873280
4-fluoro-N-(1-hydroxypropan-2-yl)-2-nitrobenzenesulfonamide
CID 43502280
2-amino-N-[1-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide
CID 61106700
5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-2-methylbenzenesulfonamide
CID 79896720
2-amino-N-[1-(2-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide
CID 61105978
2,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79255910
N-(1-bromopropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 114294312
1-(2-amino-5-fluorophenyl)sulfonyl-3-methylbutan-2-ol
CID 114250018
2-amino-4-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081228

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide?
The IUPAC name of 2-amino-5-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide (CID 93398317) is 2-amino-5-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-amino-5-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide?
The canonical SMILES for 2-amino-5-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide is C[C@H](CO)NS(=O)(=O)c1cc(F)ccc1N.
What is the InChIKey of 2-amino-5-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide?
The InChIKey is RVGFPKCKVLTOLM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H13FN2O3S/c1-6(5-13)12-16(14,15)9-4-7(10)2-3-8(9)11/h2-4,6,12-13H,5,11H2,1H3/t6-/m1/s1.
What are the key properties of 2-amino-5-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide?
2-amino-5-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide has a molecular weight of 248.28 g/mol, XLogP of 0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 93398317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).