N-[3-(diethylamino)propyl]-N-ethyl-4-fluorobenzenesulfonamide

C15H25FN2O2S — CID 102992728

IUPACN-[3-(diethylamino)propyl]-N-ethyl-4-fluorobenzenesulfonamide
SMILESCCN(CC)CCCN(CC)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H25FN2O2S/c1-4-17(5-2)12-7-13-18(6-3)21(19,20)15-10-8-14(16)9-11-15/h8-11H,4-7,12-13H2,1-3H3
InChIKeyXNBQRIULCQJRAO-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.57
Rot. Bonds9

About N-[3-(diethylamino)propyl]-N-ethyl-4-fluorobenzenesulfonamide

N-[3-(diethylamino)propyl]-N-ethyl-4-fluorobenzenesulfonamide (PubChem CID 102992728) has the molecular formula C15H25FN2O2S and a molecular weight of 316.44 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-N-ethyl-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-N-ethyl-4-fluorobenzenesulfonamide
PubChem CID102992728
Molecular FormulaC15H25FN2O2S
Molecular Weight316.44 g/mol
Exact Mass316.16
IUPAC NameN-[3-(diethylamino)propyl]-N-ethyl-4-fluorobenzenesulfonamide
SMILESCCN(CC)CCCN(CC)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H25FN2O2S/c1-4-17(5-2)12-7-13-18(6-3)21(19,20)15-10-8-14(16)9-11-15/h8-11H,4-7,12-13H2,1-3H3
InChIKeyXNBQRIULCQJRAO-UHFFFAOYSA-N
XLogP2.57
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-fluoro-N-propylbenzenesulfonamide
CID 43414951
4-fluoro-N,N-dihexylbenzenesulfonamide
CID 3650162
4-[butyl(ethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791222
4-(bromomethyl)-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102995889
4-bromo-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102995932
N-[3-(diethylamino)propyl]-N-ethyl-1H-pyrazole-5-sulfonamide
CID 102995753
4-amino-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 113431290
N-ethyl-4-hydroxy-N-propylbenzenesulfonamide
CID 43269048
N-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)benzenesulfonamide
CID 102994804
4-[3-(dimethylamino)propyl-ethylsulfamoyl]benzoic acid
CID 102991760
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 79667940
3-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-fluorobenzenesulfonamide
CID 102991016

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-N-ethyl-4-fluorobenzenesulfonamide?
The IUPAC name of N-[3-(diethylamino)propyl]-N-ethyl-4-fluorobenzenesulfonamide (CID 102992728) is N-[3-(diethylamino)propyl]-N-ethyl-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-N-ethyl-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-N-ethyl-4-fluorobenzenesulfonamide is CCN(CC)CCCN(CC)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[3-(diethylamino)propyl]-N-ethyl-4-fluorobenzenesulfonamide?
The InChIKey is XNBQRIULCQJRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O2S/c1-4-17(5-2)12-7-13-18(6-3)21(19,20)15-10-8-14(16)9-11-15/h8-11H,4-7,12-13H2,1-3H3.
What are the key properties of N-[3-(diethylamino)propyl]-N-ethyl-4-fluorobenzenesulfonamide?
N-[3-(diethylamino)propyl]-N-ethyl-4-fluorobenzenesulfonamide has a molecular weight of 316.44 g/mol, XLogP of 2.57, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-N-ethyl-4-fluorobenzenesulfonamide is sourced from PubChem (CID 102992728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).