N-[3-(dimethylamino)propyl]-4-fluorobenzenesulfonamide

C11H17FN2O2S — CID 2251298

IUPACN-[3-(dimethylamino)propyl]-4-fluorobenzenesulfonamide
SMILESCN(C)CCCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H17FN2O2S/c1-14(2)9-3-8-13-17(15,16)11-6-4-10(12)5-7-11/h4-7,13H,3,8-9H2,1-2H3
InChIKeyRODFIHMZMQWGCK-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.06
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-4-fluorobenzenesulfonamide

N-[3-(dimethylamino)propyl]-4-fluorobenzenesulfonamide (PubChem CID 2251298) has the molecular formula C11H17FN2O2S and a molecular weight of 260.33 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-fluorobenzenesulfonamide
PubChem CID2251298
Molecular FormulaC11H17FN2O2S
Molecular Weight260.33 g/mol
Exact Mass260.10
IUPAC NameN-[3-(dimethylamino)propyl]-4-fluorobenzenesulfonamide
SMILESCN(C)CCCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H17FN2O2S/c1-14(2)9-3-8-13-17(15,16)11-6-4-10(12)5-7-11/h4-7,13H,3,8-9H2,1-2H3
InChIKeyRODFIHMZMQWGCK-UHFFFAOYSA-N
XLogP1.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-fluorobenzenesulfonamide (CID 2251298) is N-[3-(dimethylamino)propyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-fluorobenzenesulfonamide is CN(C)CCCNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-fluorobenzenesulfonamide?
The InChIKey is RODFIHMZMQWGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2S/c1-14(2)9-3-8-13-17(15,16)11-6-4-10(12)5-7-11/h4-7,13H,3,8-9H2,1-2H3.
What are the key properties of N-[3-(dimethylamino)propyl]-4-fluorobenzenesulfonamide?
N-[3-(dimethylamino)propyl]-4-fluorobenzenesulfonamide has a molecular weight of 260.33 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 2251298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).