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

C12H18F2N2O2S — CID 8716571

IUPACN-[2-(diethylamino)ethyl]-3,4-difluorobenzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H18F2N2O2S/c1-3-16(4-2)8-7-15-19(17,18)10-5-6-11(13)12(14)9-10/h5-6,9,15H,3-4,7-8H2,1-2H3
InChIKeyVDXWGYLRIOIGNH-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.58
Rot. Bonds7

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

N-[2-(diethylamino)ethyl]-3,4-difluorobenzenesulfonamide (PubChem CID 8716571) has the molecular formula C12H18F2N2O2S and a molecular weight of 292.35 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-3,4-difluorobenzenesulfonamide
PubChem CID8716571
Molecular FormulaC12H18F2N2O2S
Molecular Weight292.35 g/mol
Exact Mass292.11
IUPAC NameN-[2-(diethylamino)ethyl]-3,4-difluorobenzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H18F2N2O2S/c1-3-16(4-2)8-7-15-19(17,18)10-5-6-11(13)12(14)9-10/h5-6,9,15H,3-4,7-8H2,1-2H3
InChIKeyVDXWGYLRIOIGNH-UHFFFAOYSA-N
XLogP1.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-3,4-difluorobenzenesulfonamide (CID 8716571) is N-[2-(diethylamino)ethyl]-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-3,4-difluorobenzenesulfonamide is CCN(CC)CCNS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-3,4-difluorobenzenesulfonamide?
The InChIKey is VDXWGYLRIOIGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O2S/c1-3-16(4-2)8-7-15-19(17,18)10-5-6-11(13)12(14)9-10/h5-6,9,15H,3-4,7-8H2,1-2H3.
What are the key properties of N-[2-(diethylamino)ethyl]-3,4-difluorobenzenesulfonamide?
N-[2-(diethylamino)ethyl]-3,4-difluorobenzenesulfonamide has a molecular weight of 292.35 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 8716571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).