N-[2-(dimethylamino)-3-methylbutyl]-4-fluorobenzenesulfonamide

C13H21FN2O2S — CID 60716563

IUPACN-[2-(dimethylamino)-3-methylbutyl]-4-fluorobenzenesulfonamide
SMILESCC(C)C(CNS(=O)(=O)c1ccc(F)cc1)N(C)C
InChIInChI=1S/C13H21FN2O2S/c1-10(2)13(16(3)4)9-15-19(17,18)12-7-5-11(14)6-8-12/h5-8,10,13,15H,9H2,1-4H3
InChIKeyOIMBNPYIPNXOLF-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.69
Rot. Bonds6

About N-[2-(dimethylamino)-3-methylbutyl]-4-fluorobenzenesulfonamide

N-[2-(dimethylamino)-3-methylbutyl]-4-fluorobenzenesulfonamide (PubChem CID 60716563) has the molecular formula C13H21FN2O2S and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)-3-methylbutyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-3-methylbutyl]-4-fluorobenzenesulfonamide
PubChem CID60716563
Molecular FormulaC13H21FN2O2S
Molecular Weight288.39 g/mol
Exact Mass288.13
IUPAC NameN-[2-(dimethylamino)-3-methylbutyl]-4-fluorobenzenesulfonamide
SMILESCC(C)C(CNS(=O)(=O)c1ccc(F)cc1)N(C)C
InChIInChI=1S/C13H21FN2O2S/c1-10(2)13(16(3)4)9-15-19(17,18)12-7-5-11(14)6-8-12/h5-8,10,13,15H,9H2,1-4H3
InChIKeyOIMBNPYIPNXOLF-UHFFFAOYSA-N
XLogP1.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-3-methylbutyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)-3-methylbutyl]-4-fluorobenzenesulfonamide (CID 60716563) is N-[2-(dimethylamino)-3-methylbutyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-3-methylbutyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-3-methylbutyl]-4-fluorobenzenesulfonamide is CC(C)C(CNS(=O)(=O)c1ccc(F)cc1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-3-methylbutyl]-4-fluorobenzenesulfonamide?
The InChIKey is OIMBNPYIPNXOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O2S/c1-10(2)13(16(3)4)9-15-19(17,18)12-7-5-11(14)6-8-12/h5-8,10,13,15H,9H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)-3-methylbutyl]-4-fluorobenzenesulfonamide?
N-[2-(dimethylamino)-3-methylbutyl]-4-fluorobenzenesulfonamide has a molecular weight of 288.39 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-3-methylbutyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 60716563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).