N,N-bis(2-ethoxyethyl)-2,6-difluorobenzenesulfonamide

C14H21F2NO4S — CID 3723730

IUPACN,N-bis(2-ethoxyethyl)-2,6-difluorobenzenesulfonamide
SMILESCCOCCN(CCOCC)S(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C14H21F2NO4S/c1-3-20-10-8-17(9-11-21-4-2)22(18,19)14-12(15)6-5-7-13(14)16/h5-7H,3-4,8-11H2,1-2H3
InChIKeyIFUKOMUADIBKGF-UHFFFAOYSA-N
MW337.39 g/mol
LogP2.03
Rot. Bonds10

About N,N-bis(2-ethoxyethyl)-2,6-difluorobenzenesulfonamide

N,N-bis(2-ethoxyethyl)-2,6-difluorobenzenesulfonamide (PubChem CID 3723730) has the molecular formula C14H21F2NO4S and a molecular weight of 337.39 g/mol. Its IUPAC name is N,N-bis(2-ethoxyethyl)-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN,N-bis(2-ethoxyethyl)-2,6-difluorobenzenesulfonamide
PubChem CID3723730
Molecular FormulaC14H21F2NO4S
Molecular Weight337.39 g/mol
Exact Mass337.12
IUPAC NameN,N-bis(2-ethoxyethyl)-2,6-difluorobenzenesulfonamide
SMILESCCOCCN(CCOCC)S(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C14H21F2NO4S/c1-3-20-10-8-17(9-11-21-4-2)22(18,19)14-12(15)6-5-7-13(14)16/h5-7H,3-4,8-11H2,1-2H3
InChIKeyIFUKOMUADIBKGF-UHFFFAOYSA-N
XLogP2.03
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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,N-bis(2-ethoxyethyl)-2,6-difluorobenzenesulfonamide?
The IUPAC name of N,N-bis(2-ethoxyethyl)-2,6-difluorobenzenesulfonamide (CID 3723730) is N,N-bis(2-ethoxyethyl)-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for N,N-bis(2-ethoxyethyl)-2,6-difluorobenzenesulfonamide?
The canonical SMILES for N,N-bis(2-ethoxyethyl)-2,6-difluorobenzenesulfonamide is CCOCCN(CCOCC)S(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of N,N-bis(2-ethoxyethyl)-2,6-difluorobenzenesulfonamide?
The InChIKey is IFUKOMUADIBKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO4S/c1-3-20-10-8-17(9-11-21-4-2)22(18,19)14-12(15)6-5-7-13(14)16/h5-7H,3-4,8-11H2,1-2H3.
What are the key properties of N,N-bis(2-ethoxyethyl)-2,6-difluorobenzenesulfonamide?
N,N-bis(2-ethoxyethyl)-2,6-difluorobenzenesulfonamide has a molecular weight of 337.39 g/mol, XLogP of 2.03, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-ethoxyethyl)-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 3723730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).