3-amino-2,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide

C10H14F2N2O3S — CID 107343168

IUPAC3-amino-2,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
SMILESCC(C)(CO)NS(=O)(=O)c1ccc(F)c(N)c1F
InChIInChI=1S/C10H14F2N2O3S/c1-10(2,5-15)14-18(16,17)7-4-3-6(11)9(13)8(7)12/h3-4,14-15H,5,13H2,1-2H3
InChIKeyKZTFTKQLAKQZHZ-UHFFFAOYSA-N
MW280.30 g/mol
LogP0.60
Rot. Bonds4

About 3-amino-2,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide

3-amino-2,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide (PubChem CID 107343168) has the molecular formula C10H14F2N2O3S and a molecular weight of 280.30 g/mol. Its IUPAC name is 3-amino-2,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
PubChem CID107343168
Molecular FormulaC10H14F2N2O3S
Molecular Weight280.30 g/mol
Exact Mass280.07
IUPAC Name3-amino-2,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
SMILESCC(C)(CO)NS(=O)(=O)c1ccc(F)c(N)c1F
InChIInChI=1S/C10H14F2N2O3S/c1-10(2,5-15)14-18(16,17)7-4-3-6(11)9(13)8(7)12/h3-4,14-15H,5,13H2,1-2H3
InChIKeyKZTFTKQLAKQZHZ-UHFFFAOYSA-N
XLogP0.60
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 50.60
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

3-amino-2,4-difluoro-N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide
CID 107343827
5-amino-2,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 43498653
3-amino-5-chloro-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 103050568
4-amino-2,6-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 54889018
2-bromo-4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 54922007
3-amino-2,4-difluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 107343624
3-amino-N-(2-chloroprop-2-enyl)-2,4-difluorobenzenesulfonamide
CID 107343820
3-amino-N-(2-bromoprop-2-enyl)-2,4-difluorobenzenesulfonamide
CID 107343821
3-amino-2,4-difluoro-N-(3-methylbutyl)benzenesulfonamide
CID 107343096
3-amino-2,4-difluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide
CID 107343940
4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-2-nitrobenzenesulfonamide
CID 43501924
3-amino-2,4-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 107343683

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 3-amino-2,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide (CID 107343168) is 3-amino-2,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-2,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide is CC(C)(CO)NS(=O)(=O)c1ccc(F)c(N)c1F.
What is the InChIKey of 3-amino-2,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide?
The InChIKey is KZTFTKQLAKQZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O3S/c1-10(2,5-15)14-18(16,17)7-4-3-6(11)9(13)8(7)12/h3-4,14-15H,5,13H2,1-2H3.
What are the key properties of 3-amino-2,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide?
3-amino-2,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide has a molecular weight of 280.30 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,4-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 107343168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).