N-[2-[4-(dimethylamino)phenyl]ethyl]-2,5-difluorobenzenesulfonamide

C16H18F2N2O2S — CID 16890413

IUPACN-[2-[4-(dimethylamino)phenyl]ethyl]-2,5-difluorobenzenesulfonamide
SMILESCN(C)c1ccc(CCNS(=O)(=O)c2cc(F)ccc2F)cc1
InChIInChI=1S/C16H18F2N2O2S/c1-20(2)14-6-3-12(4-7-14)9-10-19-23(21,22)16-11-13(17)5-8-15(16)18/h3-8,11,19H,9-10H2,1-2H3
InChIKeyUSXBDGDMBZYHKZ-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.55
Rot. Bonds6

About N-[2-[4-(dimethylamino)phenyl]ethyl]-2,5-difluorobenzenesulfonamide

N-[2-[4-(dimethylamino)phenyl]ethyl]-2,5-difluorobenzenesulfonamide (PubChem CID 16890413) has the molecular formula C16H18F2N2O2S and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]ethyl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]ethyl]-2,5-difluorobenzenesulfonamide
PubChem CID16890413
Molecular FormulaC16H18F2N2O2S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC NameN-[2-[4-(dimethylamino)phenyl]ethyl]-2,5-difluorobenzenesulfonamide
SMILESCN(C)c1ccc(CCNS(=O)(=O)c2cc(F)ccc2F)cc1
InChIInChI=1S/C16H18F2N2O2S/c1-20(2)14-6-3-12(4-7-14)9-10-19-23(21,22)16-11-13(17)5-8-15(16)18/h3-8,11,19H,9-10H2,1-2H3
InChIKeyUSXBDGDMBZYHKZ-UHFFFAOYSA-N
XLogP2.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-2,5-difluorobenzenesulfonamide (CID 16890413) is N-[2-[4-(dimethylamino)phenyl]ethyl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]ethyl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]ethyl]-2,5-difluorobenzenesulfonamide is CN(C)c1ccc(CCNS(=O)(=O)c2cc(F)ccc2F)cc1.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]ethyl]-2,5-difluorobenzenesulfonamide?
The InChIKey is USXBDGDMBZYHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O2S/c1-20(2)14-6-3-12(4-7-14)9-10-19-23(21,22)16-11-13(17)5-8-15(16)18/h3-8,11,19H,9-10H2,1-2H3.
What are the key properties of N-[2-[4-(dimethylamino)phenyl]ethyl]-2,5-difluorobenzenesulfonamide?
N-[2-[4-(dimethylamino)phenyl]ethyl]-2,5-difluorobenzenesulfonamide has a molecular weight of 340.40 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]ethyl]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 16890413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).