4-amino-2,6-difluoro-N,N-dimethylbenzenesulfonamide

C8H10F2N2O2S — CID 60984863

IUPAC4-amino-2,6-difluoro-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1c(F)cc(N)cc1F
InChIInChI=1S/C8H10F2N2O2S/c1-12(2)15(13,14)8-6(9)3-5(11)4-7(8)10/h3-4H,11H2,1-2H3
InChIKeyAEADDMWMDACVBF-UHFFFAOYSA-N
MW236.24 g/mol
LogP0.80
Rot. Bonds2

About 4-amino-2,6-difluoro-N,N-dimethylbenzenesulfonamide

4-amino-2,6-difluoro-N,N-dimethylbenzenesulfonamide (PubChem CID 60984863) has the molecular formula C8H10F2N2O2S and a molecular weight of 236.24 g/mol. Its IUPAC name is 4-amino-2,6-difluoro-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-difluoro-N,N-dimethylbenzenesulfonamide
PubChem CID60984863
Molecular FormulaC8H10F2N2O2S
Molecular Weight236.24 g/mol
Exact Mass236.04
IUPAC Name4-amino-2,6-difluoro-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1c(F)cc(N)cc1F
InChIInChI=1S/C8H10F2N2O2S/c1-12(2)15(13,14)8-6(9)3-5(11)4-7(8)10/h3-4H,11H2,1-2H3
InChIKeyAEADDMWMDACVBF-UHFFFAOYSA-N
XLogP0.80
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2,6-difluoro-N-methoxy-N-methylbenzenesulfonamide
CID 60985983
4-amino-2,6-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79849886
4-amino-2,6-difluoro-N-methyl-N-pentylbenzenesulfonamide
CID 54888877
2-amino-6-fluoro-N,N-dimethyl-4-nitrobenzenesulfonamide
CID 62151022
4-amino-2,6-difluoro-N,N-bis(prop-2-enyl)benzenesulfonamide
CID 61113841
4-[3-(dimethylamino)propylsulfonyl]-3,5-difluoroaniline
CID 114526479
4-amino-N-[2-(dimethylsulfamoyl)ethyl]-2,6-difluorobenzenesulfonamide
CID 106333567
3,5-difluoro-4-pentylsulfonylaniline
CID 61368233
4-amino-N-(cyclopropylmethyl)-N-ethyl-2,6-difluorobenzenesulfonamide
CID 63956337
3,5-difluoro-4-nonylsulfonylaniline
CID 61366703
2-amino-5-bromo-4-fluoro-N,N-dimethylbenzenesulfonamide
CID 106491295
3,5-difluoro-4-hexylsulfonylaniline
CID 61366705

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-difluoro-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-amino-2,6-difluoro-N,N-dimethylbenzenesulfonamide (CID 60984863) is 4-amino-2,6-difluoro-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-difluoro-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-amino-2,6-difluoro-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1c(F)cc(N)cc1F.
What is the InChIKey of 4-amino-2,6-difluoro-N,N-dimethylbenzenesulfonamide?
The InChIKey is AEADDMWMDACVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O2S/c1-12(2)15(13,14)8-6(9)3-5(11)4-7(8)10/h3-4H,11H2,1-2H3.
What are the key properties of 4-amino-2,6-difluoro-N,N-dimethylbenzenesulfonamide?
4-amino-2,6-difluoro-N,N-dimethylbenzenesulfonamide has a molecular weight of 236.24 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-difluoro-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 60984863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).