4-amino-2,6-difluoro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide

C13H11F3N2O2S — CID 60984738

IUPAC4-amino-2,6-difluoro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
SMILESCc1ccc(F)cc1NS(=O)(=O)c1c(F)cc(N)cc1F
InChIInChI=1S/C13H11F3N2O2S/c1-7-2-3-8(14)4-12(7)18-21(19,20)13-10(15)5-9(17)6-11(13)16/h2-6,18H,17H2,1H3
InChIKeyUGLNHNVSPXGMQJ-UHFFFAOYSA-N
MW316.30 g/mol
LogP2.80
Rot. Bonds3

About 4-amino-2,6-difluoro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide

4-amino-2,6-difluoro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide (PubChem CID 60984738) has the molecular formula C13H11F3N2O2S and a molecular weight of 316.30 g/mol. Its IUPAC name is 4-amino-2,6-difluoro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-difluoro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
PubChem CID60984738
Molecular FormulaC13H11F3N2O2S
Molecular Weight316.30 g/mol
Exact Mass316.05
IUPAC Name4-amino-2,6-difluoro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
SMILESCc1ccc(F)cc1NS(=O)(=O)c1c(F)cc(N)cc1F
InChIInChI=1S/C13H11F3N2O2S/c1-7-2-3-8(14)4-12(7)18-21(19,20)13-10(15)5-9(17)6-11(13)16/h2-6,18H,17H2,1H3
InChIKeyUGLNHNVSPXGMQJ-UHFFFAOYSA-N
XLogP2.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 43257739
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539
4-amino-2,6-difluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63669668
2-bromo-N-(5-bromo-2-methylphenyl)-4,6-difluorobenzenesulfonamide
CID 60822685
4-amino-N-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide
CID 60985629
N-(2,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326617
2-amino-N-(5-fluoro-2-methylphenyl)ethanesulfonamide
CID 16783174
3-amino-N-(5-chloro-2-methylphenyl)-5-fluorobenzenesulfonamide
CID 63321951
N-(5-amino-2-fluorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43344317
3-amino-N-(2,5-difluorophenyl)-5-methylbenzenesulfonamide
CID 43256407
N-(2-amino-4-methylphenyl)-2,4,6-trifluorobenzenesulfonamide
CID 60971814
5-tert-butyl-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 7939111

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-difluoro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-difluoro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide (CID 60984738) is 4-amino-2,6-difluoro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-difluoro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-difluoro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide is Cc1ccc(F)cc1NS(=O)(=O)c1c(F)cc(N)cc1F.
What is the InChIKey of 4-amino-2,6-difluoro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide?
The InChIKey is UGLNHNVSPXGMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2S/c1-7-2-3-8(14)4-12(7)18-21(19,20)13-10(15)5-9(17)6-11(13)16/h2-6,18H,17H2,1H3.
What are the key properties of 4-amino-2,6-difluoro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide?
4-amino-2,6-difluoro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide has a molecular weight of 316.30 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-difluoro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 60984738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).