3-(tert-butylsulfonylamino)-5-fluorobenzenesulfonamide

C10H15FN2O4S2 — CID 63687706

IUPAC3-(tert-butylsulfonylamino)-5-fluorobenzenesulfonamide
SMILESCC(C)(C)S(=O)(=O)Nc1cc(F)cc(S(N)(=O)=O)c1
InChIInChI=1S/C10H15FN2O4S2/c1-10(2,3)19(16,17)13-8-4-7(11)5-9(6-8)18(12,14)15/h4-6,13H,1-3H3,(H2,12,14,15)
InChIKeyVTBUKOPDBCIPPA-UHFFFAOYSA-N
MW310.37 g/mol
LogP1.01
Rot. Bonds3

About 3-(tert-butylsulfonylamino)-5-fluorobenzenesulfonamide

3-(tert-butylsulfonylamino)-5-fluorobenzenesulfonamide (PubChem CID 63687706) has the molecular formula C10H15FN2O4S2 and a molecular weight of 310.37 g/mol. Its IUPAC name is 3-(tert-butylsulfonylamino)-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-(tert-butylsulfonylamino)-5-fluorobenzenesulfonamide
PubChem CID63687706
Molecular FormulaC10H15FN2O4S2
Molecular Weight310.37 g/mol
Exact Mass310.05
IUPAC Name3-(tert-butylsulfonylamino)-5-fluorobenzenesulfonamide
SMILESCC(C)(C)S(=O)(=O)Nc1cc(F)cc(S(N)(=O)=O)c1
InChIInChI=1S/C10H15FN2O4S2/c1-10(2,3)19(16,17)13-8-4-7(11)5-9(6-8)18(12,14)15/h4-6,13H,1-3H3,(H2,12,14,15)
InChIKeyVTBUKOPDBCIPPA-UHFFFAOYSA-N
XLogP1.01
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-5-(2-methoxyethylsulfonylamino)benzenesulfonamide
CID 55014078
1-(3-fluoro-5-sulfamoylphenyl)-3-methylurea
CID 78993821
N-(3-fluoro-5-sulfamoylphenyl)-1H-pyrazole-4-sulfonamide
CID 47337151
N-(3-fluoro-5-sulfamoylphenyl)-1H-pyrazole-5-sulfonamide
CID 102693893
3,3,3-trifluoro-N-(3-fluoro-5-sulfamoylphenyl)propanamide
CID 61132230
N-[4-[(3-fluoroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 70939384
N-(3-fluoro-5-sulfamoylphenyl)pentanamide
CID 61132325
N-(3-fluoro-5-sulfamoylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 63362226
N-(3-fluoro-5-sulfamoylphenyl)-3-methylsulfanylpropanamide
CID 61132513
3-bromo-5-fluorobenzenesulfonamide
CID 118572967
1-(2,2-dimethylpropanoyl)-N-(3-fluoro-5-sulfamoylphenyl)piperidine-4-carboxamide
CID 55979660
3-(tert-butylsulfonylamino)-4-chlorobenzenesulfonamide
CID 63687162

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfonylamino)-5-fluorobenzenesulfonamide?
The IUPAC name of 3-(tert-butylsulfonylamino)-5-fluorobenzenesulfonamide (CID 63687706) is 3-(tert-butylsulfonylamino)-5-fluorobenzenesulfonamide.
What is the SMILES notation for 3-(tert-butylsulfonylamino)-5-fluorobenzenesulfonamide?
The canonical SMILES for 3-(tert-butylsulfonylamino)-5-fluorobenzenesulfonamide is CC(C)(C)S(=O)(=O)Nc1cc(F)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3-(tert-butylsulfonylamino)-5-fluorobenzenesulfonamide?
The InChIKey is VTBUKOPDBCIPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O4S2/c1-10(2,3)19(16,17)13-8-4-7(11)5-9(6-8)18(12,14)15/h4-6,13H,1-3H3,(H2,12,14,15).
What are the key properties of 3-(tert-butylsulfonylamino)-5-fluorobenzenesulfonamide?
3-(tert-butylsulfonylamino)-5-fluorobenzenesulfonamide has a molecular weight of 310.37 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfonylamino)-5-fluorobenzenesulfonamide is sourced from PubChem (CID 63687706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).