5-amino-2-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide

C13H21FN2O3S — CID 66179689

IUPAC5-amino-2-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide
SMILESCC(C)CC(C)(O)CNS(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C13H21FN2O3S/c1-9(2)7-13(3,17)8-16-20(18,19)12-6-10(15)4-5-11(12)14/h4-6,9,16-17H,7-8,15H2,1-3H3
InChIKeyDPLWXUPEPHSPSZ-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.48
Rot. Bonds6

About 5-amino-2-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide

5-amino-2-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide (PubChem CID 66179689) has the molecular formula C13H21FN2O3S and a molecular weight of 304.39 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide
PubChem CID66179689
Molecular FormulaC13H21FN2O3S
Molecular Weight304.39 g/mol
Exact Mass304.13
IUPAC Name5-amino-2-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide
SMILESCC(C)CC(C)(O)CNS(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C13H21FN2O3S/c1-9(2)7-13(3,17)8-16-20(18,19)12-6-10(15)4-5-11(12)14/h4-6,9,16-17H,7-8,15H2,1-3H3
InChIKeyDPLWXUPEPHSPSZ-UHFFFAOYSA-N
XLogP1.48
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.48
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

5-amino-2,3-difluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide
CID 66181065
2,3,4-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide
CID 66181163
4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-methoxybenzenesulfonamide
CID 66179699
5-amino-2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide
CID 79552160
5-amino-2-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43498706
5-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64928220
4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-methylbenzenesulfonamide
CID 66179306
3-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide
CID 66179000
2-[(5-amino-2-fluorophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 43567667
2,4-dibromo-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide
CID 66180968
5-amino-2-fluoro-N-(2-phenylpropyl)benzenesulfonamide
CID 61109845
5-amino-N-butan-2-yl-2-fluorobenzenesulfonamide
CID 43255365

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide (CID 66179689) is 5-amino-2-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide is CC(C)CC(C)(O)CNS(=O)(=O)c1cc(N)ccc1F.
What is the InChIKey of 5-amino-2-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide?
The InChIKey is DPLWXUPEPHSPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O3S/c1-9(2)7-13(3,17)8-16-20(18,19)12-6-10(15)4-5-11(12)14/h4-6,9,16-17H,7-8,15H2,1-3H3.
What are the key properties of 5-amino-2-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide?
5-amino-2-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide has a molecular weight of 304.39 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide is sourced from PubChem (CID 66179689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).