5-amino-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide

C11H17FN2O3S — CID 113475408

IUPAC5-amino-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide
SMILESCN(C(C)(C)CO)S(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C11H17FN2O3S/c1-11(2,7-15)14(3)18(16,17)10-6-8(13)4-5-9(10)12/h4-6,15H,7,13H2,1-3H3
InChIKeyJGEKHNMVRILYGB-UHFFFAOYSA-N
MW276.33 g/mol
LogP0.80
Rot. Bonds4

About 5-amino-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide

5-amino-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide (PubChem CID 113475408) has the molecular formula C11H17FN2O3S and a molecular weight of 276.33 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide
PubChem CID113475408
Molecular FormulaC11H17FN2O3S
Molecular Weight276.33 g/mol
Exact Mass276.09
IUPAC Name5-amino-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide
SMILESCN(C(C)(C)CO)S(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C11H17FN2O3S/c1-11(2,7-15)14(3)18(16,17)10-6-8(13)4-5-9(10)12/h4-6,15H,7,13H2,1-3H3
InChIKeyJGEKHNMVRILYGB-UHFFFAOYSA-N
XLogP0.80
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide
CID 116527769
5-amino-2-fluoro-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 61140970
5-amino-N-ethyl-2-fluoro-N-propan-2-ylbenzenesulfonamide
CID 43265424
3-cyano-4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide
CID 115902750
2-[(5-amino-2-fluorophenyl)sulfonyl-ethylamino]-N,N-dimethylacetamide
CID 43587604
5-amino-2-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61140112
2-[(5-amino-2-fluorophenyl)sulfonyl-ethylamino]acetamide
CID 103101009
5-amino-2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 61109520
6-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337220
2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-5-(trifluoromethyl)benzenesulfonamide
CID 115902653
3-N-(1-hydroxy-2-methylpropan-2-yl)-3-N-methylbenzene-1,3-disulfonamide
CID 115902668
5-amino-N-(2-cyanopropyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 61141061

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide (CID 113475408) is 5-amino-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide is CN(C(C)(C)CO)S(=O)(=O)c1cc(N)ccc1F.
What is the InChIKey of 5-amino-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide?
The InChIKey is JGEKHNMVRILYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O3S/c1-11(2,7-15)14(3)18(16,17)10-6-8(13)4-5-9(10)12/h4-6,15H,7,13H2,1-3H3.
What are the key properties of 5-amino-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide?
5-amino-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide has a molecular weight of 276.33 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 113475408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).