4-(2,3-dimethylbutylamino)-3-fluorobenzenesulfonamide

C12H19FN2O2S — CID 64599794

IUPAC4-(2,3-dimethylbutylamino)-3-fluorobenzenesulfonamide
SMILESCC(C)C(C)CNc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C12H19FN2O2S/c1-8(2)9(3)7-15-12-5-4-10(6-11(12)13)18(14,16)17/h4-6,8-9,15H,7H2,1-3H3,(H2,14,16,17)
InChIKeyDCFDZMZUIMKOKK-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.18
Rot. Bonds5

About 4-(2,3-dimethylbutylamino)-3-fluorobenzenesulfonamide

4-(2,3-dimethylbutylamino)-3-fluorobenzenesulfonamide (PubChem CID 64599794) has the molecular formula C12H19FN2O2S and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-(2,3-dimethylbutylamino)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-(2,3-dimethylbutylamino)-3-fluorobenzenesulfonamide
PubChem CID64599794
Molecular FormulaC12H19FN2O2S
Molecular Weight274.36 g/mol
Exact Mass274.12
IUPAC Name4-(2,3-dimethylbutylamino)-3-fluorobenzenesulfonamide
SMILESCC(C)C(C)CNc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C12H19FN2O2S/c1-8(2)9(3)7-15-12-5-4-10(6-11(12)13)18(14,16)17/h4-6,8-9,15H,7H2,1-3H3,(H2,14,16,17)
InChIKeyDCFDZMZUIMKOKK-UHFFFAOYSA-N
XLogP2.18
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-(2,3-dimethylbutylamino)benzenesulfonamide
CID 64568212
3-fluoro-4-(2-phenylpropylamino)benzenesulfonamide
CID 115576985
4-[(3-ethyl-2-hydroxypentyl)amino]-3-fluorobenzenesulfonamide
CID 106287531
4-[(2-amino-2-methylpropyl)amino]-3-fluorobenzenesulfonamide
CID 115303754
3-fluoro-4-(propylamino)benzenesulfonamide
CID 60713095
3-fluoro-4-[2-(2-hydroxyethyl)pentylamino]benzenesulfonamide
CID 106115793
3-fluoro-4-[(2-hydroxy-2,4-dimethylpentyl)amino]benzenesulfonamide
CID 66180002
N-(2-fluoro-4-sulfamoylphenyl)-3,4,4-trimethylpentanamide
CID 63821086
4-(2-ethoxyethylamino)-3-fluorobenzenesulfonamide
CID 60965986
4-[(2-ethylphenyl)methylamino]-3-fluorobenzenesulfonamide
CID 64693654
3-fluoro-4-(4-hydroxybutylamino)benzenesulfonamide
CID 106842759
4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzenesulfonamide
CID 106338502

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylbutylamino)-3-fluorobenzenesulfonamide?
The IUPAC name of 4-(2,3-dimethylbutylamino)-3-fluorobenzenesulfonamide (CID 64599794) is 4-(2,3-dimethylbutylamino)-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-(2,3-dimethylbutylamino)-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-(2,3-dimethylbutylamino)-3-fluorobenzenesulfonamide is CC(C)C(C)CNc1ccc(S(N)(=O)=O)cc1F.
What is the InChIKey of 4-(2,3-dimethylbutylamino)-3-fluorobenzenesulfonamide?
The InChIKey is DCFDZMZUIMKOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2S/c1-8(2)9(3)7-15-12-5-4-10(6-11(12)13)18(14,16)17/h4-6,8-9,15H,7H2,1-3H3,(H2,14,16,17).
What are the key properties of 4-(2,3-dimethylbutylamino)-3-fluorobenzenesulfonamide?
4-(2,3-dimethylbutylamino)-3-fluorobenzenesulfonamide has a molecular weight of 274.36 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylbutylamino)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 64599794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).