5-amino-2-chloro-N-(2,2-dimethylpropyl)-4-fluorobenzenesulfonamide

C11H16ClFN2O2S — CID 61165880

IUPAC5-amino-2-chloro-N-(2,2-dimethylpropyl)-4-fluorobenzenesulfonamide
SMILESCC(C)(C)CNS(=O)(=O)c1cc(N)c(F)cc1Cl
InChIInChI=1S/C11H16ClFN2O2S/c1-11(2,3)6-15-18(16,17)10-5-9(14)8(13)4-7(10)12/h4-5,15H,6,14H2,1-3H3
InChIKeyBKMLZCDRDOILSD-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.39
Rot. Bonds3

About 5-amino-2-chloro-N-(2,2-dimethylpropyl)-4-fluorobenzenesulfonamide

5-amino-2-chloro-N-(2,2-dimethylpropyl)-4-fluorobenzenesulfonamide (PubChem CID 61165880) has the molecular formula C11H16ClFN2O2S and a molecular weight of 294.78 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(2,2-dimethylpropyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(2,2-dimethylpropyl)-4-fluorobenzenesulfonamide
PubChem CID61165880
Molecular FormulaC11H16ClFN2O2S
Molecular Weight294.78 g/mol
Exact Mass294.06
IUPAC Name5-amino-2-chloro-N-(2,2-dimethylpropyl)-4-fluorobenzenesulfonamide
SMILESCC(C)(C)CNS(=O)(=O)c1cc(N)c(F)cc1Cl
InChIInChI=1S/C11H16ClFN2O2S/c1-11(2,3)6-15-18(16,17)10-5-9(14)8(13)4-7(10)12/h4-5,15H,6,14H2,1-3H3
InChIKeyBKMLZCDRDOILSD-UHFFFAOYSA-N
XLogP2.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.39
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

5-amino-2-chloro-4-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61111152
2-[(5-amino-2-chloro-4-fluorophenyl)sulfonylamino]-N-tert-butylacetamide
CID 115355879
5-amino-2-chloro-4-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 113479655
5-amino-2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-4-fluorobenzenesulfonamide
CID 106333642
5-amino-2-chloro-4-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106425795
5-amino-2-chloro-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide
CID 61127828
5-amino-2,4-difluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65103582
5-amino-2-chloro-4-fluoro-N-(5-hydroxypentyl)benzenesulfonamide
CID 107316367
3-amino-4-bromo-5-chloro-N-(2,2-dimethylpropyl)-2-fluorobenzenesulfonamide
CID 103077381
5-amino-2-chloro-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide
CID 61111529
5-amino-2-chloro-4-fluoro-N-(3-propoxypropyl)benzenesulfonamide
CID 82949557
5-amino-2-chloro-4-fluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113557

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(2,2-dimethylpropyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N-(2,2-dimethylpropyl)-4-fluorobenzenesulfonamide (CID 61165880) is 5-amino-2-chloro-N-(2,2-dimethylpropyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N-(2,2-dimethylpropyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N-(2,2-dimethylpropyl)-4-fluorobenzenesulfonamide is CC(C)(C)CNS(=O)(=O)c1cc(N)c(F)cc1Cl.
What is the InChIKey of 5-amino-2-chloro-N-(2,2-dimethylpropyl)-4-fluorobenzenesulfonamide?
The InChIKey is BKMLZCDRDOILSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN2O2S/c1-11(2,3)6-15-18(16,17)10-5-9(14)8(13)4-7(10)12/h4-5,15H,6,14H2,1-3H3.
What are the key properties of 5-amino-2-chloro-N-(2,2-dimethylpropyl)-4-fluorobenzenesulfonamide?
5-amino-2-chloro-N-(2,2-dimethylpropyl)-4-fluorobenzenesulfonamide has a molecular weight of 294.78 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-(2,2-dimethylpropyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 61165880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).