N-[2-(ethylamino)ethyl]-3,4-difluorobenzenesulfonamide

C10H14F2N2O2S — CID 62664046

IUPACN-[2-(ethylamino)ethyl]-3,4-difluorobenzenesulfonamide
SMILESCCNCCNS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H14F2N2O2S/c1-2-13-5-6-14-17(15,16)8-3-4-9(11)10(12)7-8/h3-4,7,13-14H,2,5-6H2,1H3
InChIKeyYDMLRHBKUZPLJY-UHFFFAOYSA-N
MW264.30 g/mol
LogP0.85
Rot. Bonds6

About N-[2-(ethylamino)ethyl]-3,4-difluorobenzenesulfonamide

N-[2-(ethylamino)ethyl]-3,4-difluorobenzenesulfonamide (PubChem CID 62664046) has the molecular formula C10H14F2N2O2S and a molecular weight of 264.30 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-3,4-difluorobenzenesulfonamide
PubChem CID62664046
Molecular FormulaC10H14F2N2O2S
Molecular Weight264.30 g/mol
Exact Mass264.07
IUPAC NameN-[2-(ethylamino)ethyl]-3,4-difluorobenzenesulfonamide
SMILESCCNCCNS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H14F2N2O2S/c1-2-13-5-6-14-17(15,16)8-3-4-9(11)10(12)7-8/h3-4,7,13-14H,2,5-6H2,1H3
InChIKeyYDMLRHBKUZPLJY-UHFFFAOYSA-N
XLogP0.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(ethylamino)ethyl]-3,4-difluorobenzenesulfonamide;hydrochloride
CID 119973477
3,4-difluoro-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62663879
N-(2-ethylsulfanylethyl)-3,4-difluorobenzenesulfonamide
CID 5100609
N-[2-[(3,4-difluorophenyl)sulfonylamino]ethyl]acetamide
CID 26942986
3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 47101447
4-fluoro-3-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120715824
N-[3-(diethylamino)propyl]-3,4-difluorobenzenesulfonamide
CID 6735582
1-N-[2-(ethylamino)ethyl]-4-N-(2,2,2-trifluoroethyl)benzene-1,4-disulfonamide
CID 119973745
3-bromo-4-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120708859
3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47101515
3-chloro-N-[2-(ethylamino)ethyl]-4-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120708827
3-fluoro-4-methylsulfonyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716059

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-3,4-difluorobenzenesulfonamide (CID 62664046) is N-[2-(ethylamino)ethyl]-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-3,4-difluorobenzenesulfonamide is CCNCCNS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(ethylamino)ethyl]-3,4-difluorobenzenesulfonamide?
The InChIKey is YDMLRHBKUZPLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2S/c1-2-13-5-6-14-17(15,16)8-3-4-9(11)10(12)7-8/h3-4,7,13-14H,2,5-6H2,1H3.
What are the key properties of N-[2-(ethylamino)ethyl]-3,4-difluorobenzenesulfonamide?
N-[2-(ethylamino)ethyl]-3,4-difluorobenzenesulfonamide has a molecular weight of 264.30 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 62664046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).