4-amino-2,6-difluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide

C12H18F2N2O3S — CID 61240304

IUPAC4-amino-2,6-difluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
SMILESCC(C)CC(CO)NS(=O)(=O)c1c(F)cc(N)cc1F
InChIInChI=1S/C12H18F2N2O3S/c1-7(2)3-9(6-17)16-20(18,19)12-10(13)4-8(15)5-11(12)14/h4-5,7,9,16-17H,3,6,15H2,1-2H3
InChIKeyFEFJVKNTNPVGRQ-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.23
Rot. Bonds6

About 4-amino-2,6-difluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide

4-amino-2,6-difluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide (PubChem CID 61240304) has the molecular formula C12H18F2N2O3S and a molecular weight of 308.35 g/mol. Its IUPAC name is 4-amino-2,6-difluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-difluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
PubChem CID61240304
Molecular FormulaC12H18F2N2O3S
Molecular Weight308.35 g/mol
Exact Mass308.10
IUPAC Name4-amino-2,6-difluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
SMILESCC(C)CC(CO)NS(=O)(=O)c1c(F)cc(N)cc1F
InChIInChI=1S/C12H18F2N2O3S/c1-7(2)3-9(6-17)16-20(18,19)12-10(13)4-8(15)5-11(12)14/h4-5,7,9,16-17H,3,6,15H2,1-2H3
InChIKeyFEFJVKNTNPVGRQ-UHFFFAOYSA-N
XLogP1.23
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-difluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-difluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide (CID 61240304) is 4-amino-2,6-difluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-difluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-difluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide is CC(C)CC(CO)NS(=O)(=O)c1c(F)cc(N)cc1F.
What is the InChIKey of 4-amino-2,6-difluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide?
The InChIKey is FEFJVKNTNPVGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O3S/c1-7(2)3-9(6-17)16-20(18,19)12-10(13)4-8(15)5-11(12)14/h4-5,7,9,16-17H,3,6,15H2,1-2H3.
What are the key properties of 4-amino-2,6-difluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide?
4-amino-2,6-difluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide has a molecular weight of 308.35 g/mol, XLogP of 1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-difluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 61240304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).