5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-2-methylbenzenesulfonamide

C10H15FN2O3S — CID 79896720

IUPAC5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-2-methylbenzenesulfonamide
SMILESCc1c(F)cc(N)cc1S(=O)(=O)NC(C)CO
InChIInChI=1S/C10H15FN2O3S/c1-6(5-14)13-17(15,16)10-4-8(12)3-9(11)7(10)2/h3-4,6,13-14H,5,12H2,1-2H3
InChIKeyGPNNYAOCJWYRDX-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.38
Rot. Bonds4

About 5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-2-methylbenzenesulfonamide

5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-2-methylbenzenesulfonamide (PubChem CID 79896720) has the molecular formula C10H15FN2O3S and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-2-methylbenzenesulfonamide
PubChem CID79896720
Molecular FormulaC10H15FN2O3S
Molecular Weight262.31 g/mol
Exact Mass262.08
IUPAC Name5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-2-methylbenzenesulfonamide
SMILESCc1c(F)cc(N)cc1S(=O)(=O)NC(C)CO
InChIInChI=1S/C10H15FN2O3S/c1-6(5-14)13-17(15,16)10-4-8(12)3-9(11)7(10)2/h3-4,6,13-14H,5,12H2,1-2H3
InChIKeyGPNNYAOCJWYRDX-UHFFFAOYSA-N
XLogP0.38
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.38
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-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-N-methylpropanamide
CID 79896658
5-amino-3-fluoro-N,2-dimethylbenzenesulfonamide
CID 79897066
5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzenesulfonamide
CID 104551016
2-amino-5-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 93398317
2,4-difluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502106
5-amino-3-fluoro-2-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 79897333
5-amino-N-(1,3-dihydroxypropan-2-yl)-2,3-difluorobenzenesulfonamide
CID 65310162
5-amino-3-fluoro-2-methyl-N-propylbenzenesulfonamide
CID 79896105
5-amino-3-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)-2-methylbenzenesulfonamide
CID 106139792
5-amino-3-fluoro-2-methyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106327934
5-amino-N-butan-2-yl-2-fluorobenzenesulfonamide
CID 43255365
5-amino-3-fluoro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106387563

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-2-methylbenzenesulfonamide (CID 79896720) is 5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-2-methylbenzenesulfonamide is Cc1c(F)cc(N)cc1S(=O)(=O)NC(C)CO.
What is the InChIKey of 5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-2-methylbenzenesulfonamide?
The InChIKey is GPNNYAOCJWYRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O3S/c1-6(5-14)13-17(15,16)10-4-8(12)3-9(11)7(10)2/h3-4,6,13-14H,5,12H2,1-2H3.
What are the key properties of 5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-2-methylbenzenesulfonamide?
5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-2-methylbenzenesulfonamide has a molecular weight of 262.31 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 79896720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).