4-amino-2,6-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide

C10H14F2N2O4S2 — CID 79849886

IUPAC4-amino-2,6-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
SMILESCN(CCS(C)(=O)=O)S(=O)(=O)c1c(F)cc(N)cc1F
InChIInChI=1S/C10H14F2N2O4S2/c1-14(3-4-19(2,15)16)20(17,18)10-8(11)5-7(13)6-9(10)12/h5-6H,3-4,13H2,1-2H3
InChIKeyGANUGAZSAQISGF-UHFFFAOYSA-N
MW328.36 g/mol
LogP0.21
Rot. Bonds5

About 4-amino-2,6-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide

4-amino-2,6-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide (PubChem CID 79849886) has the molecular formula C10H14F2N2O4S2 and a molecular weight of 328.36 g/mol. Its IUPAC name is 4-amino-2,6-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
PubChem CID79849886
Molecular FormulaC10H14F2N2O4S2
Molecular Weight328.36 g/mol
Exact Mass328.04
IUPAC Name4-amino-2,6-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
SMILESCN(CCS(C)(=O)=O)S(=O)(=O)c1c(F)cc(N)cc1F
InChIInChI=1S/C10H14F2N2O4S2/c1-14(3-4-19(2,15)16)20(17,18)10-8(11)5-7(13)6-9(10)12/h5-6H,3-4,13H2,1-2H3
InChIKeyGANUGAZSAQISGF-UHFFFAOYSA-N
XLogP0.21
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2,6-difluoro-N-methyl-N-pentylbenzenesulfonamide
CID 54888877
4-amino-2,6-difluoro-N,N-dimethylbenzenesulfonamide
CID 60984863
2-amino-5-bromo-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 106491921
5-amino-3-fluoro-N,2-dimethyl-N-propylbenzenesulfonamide
CID 79896365
5-amino-2-fluoro-N,4-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79850611
4-[3-(dimethylamino)propylsulfonyl]-3,5-difluoroaniline
CID 114526479
4-amino-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79849708
4-amino-2,6-difluoro-N-methoxy-N-methylbenzenesulfonamide
CID 60985983
2-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 78924987
5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 65023425
2-amino-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79849981
N-(2-bromoethyl)-2,4,6-trifluoro-N-methylbenzenesulfonamide
CID 80670108

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide (CID 79849886) is 4-amino-2,6-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide is CN(CCS(C)(=O)=O)S(=O)(=O)c1c(F)cc(N)cc1F.
What is the InChIKey of 4-amino-2,6-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
The InChIKey is GANUGAZSAQISGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O4S2/c1-14(3-4-19(2,15)16)20(17,18)10-8(11)5-7(13)6-9(10)12/h5-6H,3-4,13H2,1-2H3.
What are the key properties of 4-amino-2,6-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
4-amino-2,6-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide has a molecular weight of 328.36 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide is sourced from PubChem (CID 79849886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).