N-[3-(diethylamino)propyl]-3,4-difluorobenzenesulfonamide

C13H20F2N2O2S — CID 6735582

IUPACN-[3-(diethylamino)propyl]-3,4-difluorobenzenesulfonamide
SMILESCCN(CC)CCCNS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H20F2N2O2S/c1-3-17(4-2)9-5-8-16-20(18,19)11-6-7-12(14)13(15)10-11/h6-7,10,16H,3-5,8-9H2,1-2H3
InChIKeyDPZAABRXBVHOJH-UHFFFAOYSA-N
MW306.38 g/mol
LogP1.98
Rot. Bonds8

About N-[3-(diethylamino)propyl]-3,4-difluorobenzenesulfonamide

N-[3-(diethylamino)propyl]-3,4-difluorobenzenesulfonamide (PubChem CID 6735582) has the molecular formula C13H20F2N2O2S and a molecular weight of 306.38 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-3,4-difluorobenzenesulfonamide
PubChem CID6735582
Molecular FormulaC13H20F2N2O2S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC NameN-[3-(diethylamino)propyl]-3,4-difluorobenzenesulfonamide
SMILESCCN(CC)CCCNS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H20F2N2O2S/c1-3-17(4-2)9-5-8-16-20(18,19)11-6-7-12(14)13(15)10-11/h6-7,10,16H,3-5,8-9H2,1-2H3
InChIKeyDPZAABRXBVHOJH-UHFFFAOYSA-N
XLogP1.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 51.98
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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Related Compounds

3-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzenesulfonamide
CID 8716582
N-[2-(ethylamino)ethyl]-3,4-difluorobenzenesulfonamide
CID 62664046
N-[3-(diethylamino)propyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 18525278
N-[2-(diethylamino)ethyl]-4-fluoro-3-(methylaminomethyl)benzenesulfonamide
CID 106034867
4-cyano-N-[3-(diethylamino)propyl]-3-methylbenzenesulfonamide
CID 106832901
3,4-difluoro-N-(6-iodohexyl)benzenesulfonamide
CID 107848959
3,4-difluoro-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62663879
N-[2-(ethylamino)ethyl]-3,4-difluorobenzenesulfonamide;hydrochloride
CID 119973477
N-(2-ethylsulfanylethyl)-3,4-difluorobenzenesulfonamide
CID 5100609
N-[3-(diethylamino)propyl]-4-(1-hydroxyethyl)benzenesulfonamide
CID 43507419
3-acetyl-N-[3-(diethylamino)propyl]benzenesulfonamide
CID 9266391
4-[3-(diethylamino)propylamino]-N-ethylbenzenesulfonamide
CID 43453969

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-[3-(diethylamino)propyl]-3,4-difluorobenzenesulfonamide (CID 6735582) is N-[3-(diethylamino)propyl]-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-3,4-difluorobenzenesulfonamide is CCN(CC)CCCNS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-[3-(diethylamino)propyl]-3,4-difluorobenzenesulfonamide?
The InChIKey is DPZAABRXBVHOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O2S/c1-3-17(4-2)9-5-8-16-20(18,19)11-6-7-12(14)13(15)10-11/h6-7,10,16H,3-5,8-9H2,1-2H3.
What are the key properties of N-[3-(diethylamino)propyl]-3,4-difluorobenzenesulfonamide?
N-[3-(diethylamino)propyl]-3,4-difluorobenzenesulfonamide has a molecular weight of 306.38 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 6735582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).