4-amino-N-[2-(dimethylsulfamoyl)ethyl]-2,6-difluorobenzenesulfonamide

C10H15F2N3O4S2 — CID 106333567

IUPAC4-amino-N-[2-(dimethylsulfamoyl)ethyl]-2,6-difluorobenzenesulfonamide
SMILESCN(C)S(=O)(=O)CCNS(=O)(=O)c1c(F)cc(N)cc1F
InChIInChI=1S/C10H15F2N3O4S2/c1-15(2)20(16,17)4-3-14-21(18,19)10-8(11)5-7(13)6-9(10)12/h5-6,14H,3-4,13H2,1-2H3
InChIKeyHMIATEMBEJSLQD-UHFFFAOYSA-N
MW343.38 g/mol
LogP-0.28
Rot. Bonds6

About 4-amino-N-[2-(dimethylsulfamoyl)ethyl]-2,6-difluorobenzenesulfonamide

4-amino-N-[2-(dimethylsulfamoyl)ethyl]-2,6-difluorobenzenesulfonamide (PubChem CID 106333567) has the molecular formula C10H15F2N3O4S2 and a molecular weight of 343.38 g/mol. Its IUPAC name is 4-amino-N-[2-(dimethylsulfamoyl)ethyl]-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[2-(dimethylsulfamoyl)ethyl]-2,6-difluorobenzenesulfonamide
PubChem CID106333567
Molecular FormulaC10H15F2N3O4S2
Molecular Weight343.38 g/mol
Exact Mass343.05
IUPAC Name4-amino-N-[2-(dimethylsulfamoyl)ethyl]-2,6-difluorobenzenesulfonamide
SMILESCN(C)S(=O)(=O)CCNS(=O)(=O)c1c(F)cc(N)cc1F
InChIInChI=1S/C10H15F2N3O4S2/c1-15(2)20(16,17)4-3-14-21(18,19)10-8(11)5-7(13)6-9(10)12/h5-6,14H,3-4,13H2,1-2H3
InChIKeyHMIATEMBEJSLQD-UHFFFAOYSA-N
XLogP-0.28
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylsulfamoyl)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 106336296
3-amino-N-[2-(dimethylsulfamoyl)ethyl]-5-fluoro-4-methylbenzenesulfonamide
CID 106333627
5-amino-2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-4-fluorobenzenesulfonamide
CID 106333642
4-bromo-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
CID 106341837
4-amino-N-but-2-ynyl-2,6-difluorobenzenesulfonamide
CID 113464456
4-amino-2,6-difluoro-N,N-dimethylbenzenesulfonamide
CID 60984863
4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-difluorobenzenesulfonamide
CID 106140232
2,6-difluoro-4-methoxy-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 166188133
2-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
CID 106335923
N-[2-(dimethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide
CID 114175143
2-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylethanesulfonamide
CID 106334547
4-amino-2,6-difluoro-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 60985509

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(dimethylsulfamoyl)ethyl]-2,6-difluorobenzenesulfonamide?
The IUPAC name of 4-amino-N-[2-(dimethylsulfamoyl)ethyl]-2,6-difluorobenzenesulfonamide (CID 106333567) is 4-amino-N-[2-(dimethylsulfamoyl)ethyl]-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for 4-amino-N-[2-(dimethylsulfamoyl)ethyl]-2,6-difluorobenzenesulfonamide?
The canonical SMILES for 4-amino-N-[2-(dimethylsulfamoyl)ethyl]-2,6-difluorobenzenesulfonamide is CN(C)S(=O)(=O)CCNS(=O)(=O)c1c(F)cc(N)cc1F.
What is the InChIKey of 4-amino-N-[2-(dimethylsulfamoyl)ethyl]-2,6-difluorobenzenesulfonamide?
The InChIKey is HMIATEMBEJSLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O4S2/c1-15(2)20(16,17)4-3-14-21(18,19)10-8(11)5-7(13)6-9(10)12/h5-6,14H,3-4,13H2,1-2H3.
What are the key properties of 4-amino-N-[2-(dimethylsulfamoyl)ethyl]-2,6-difluorobenzenesulfonamide?
4-amino-N-[2-(dimethylsulfamoyl)ethyl]-2,6-difluorobenzenesulfonamide has a molecular weight of 343.38 g/mol, XLogP of -0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(dimethylsulfamoyl)ethyl]-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 106333567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).