4-amino-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide

C12H19FN2O3S — CID 106165228

IUPAC4-amino-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
SMILESCCC(C)(CCO)NS(=O)(=O)c1ccc(N)cc1F
InChIInChI=1S/C12H19FN2O3S/c1-3-12(2,6-7-16)15-19(17,18)11-5-4-9(14)8-10(11)13/h4-5,8,15-16H,3,6-7,14H2,1-2H3
InChIKeyORWKZJCJOIIIGQ-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.24
Rot. Bonds6

About 4-amino-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide

4-amino-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide (PubChem CID 106165228) has the molecular formula C12H19FN2O3S and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-amino-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
PubChem CID106165228
Molecular FormulaC12H19FN2O3S
Molecular Weight290.36 g/mol
Exact Mass290.11
IUPAC Name4-amino-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
SMILESCCC(C)(CCO)NS(=O)(=O)c1ccc(N)cc1F
InChIInChI=1S/C12H19FN2O3S/c1-3-12(2,6-7-16)15-19(17,18)11-5-4-9(14)8-10(11)13/h4-5,8,15-16H,3,6-7,14H2,1-2H3
InChIKeyORWKZJCJOIIIGQ-UHFFFAOYSA-N
XLogP1.24
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.24
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-ethyl-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106165463
4-amino-2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]benzenesulfonamide
CID 62525141
4-amino-2-cyano-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106165292
4-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzenesulfonamide
CID 107843632
2,4-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 114153291
3-amino-4-[(1-hydroxy-3-methylpentan-3-yl)sulfamoyl]benzamide
CID 106165205
3-chloro-4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106169609
3-amino-4-bromo-5-chloro-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106165237
N-(1-amino-3-methylpentan-3-yl)-2,5-difluorobenzenesulfonamide
CID 106165234
N-(1-amino-2-methylbutan-2-yl)-2,4-difluorobenzenesulfonamide
CID 61133614
5-amino-3-fluoro-2-methyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106327934
N-[3-fluoro-4-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]phenyl]acetamide
CID 64557240

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide (CID 106165228) is 4-amino-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide is CCC(C)(CCO)NS(=O)(=O)c1ccc(N)cc1F.
What is the InChIKey of 4-amino-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide?
The InChIKey is ORWKZJCJOIIIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O3S/c1-3-12(2,6-7-16)15-19(17,18)11-5-4-9(14)8-10(11)13/h4-5,8,15-16H,3,6-7,14H2,1-2H3.
What are the key properties of 4-amino-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide?
4-amino-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide has a molecular weight of 290.36 g/mol, XLogP of 1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide is sourced from PubChem (CID 106165228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).