N,N-diethyl-3,5-difluorobenzenesulfonamide

C10H13F2NO2S — CID 60700204

IUPACN,N-diethyl-3,5-difluorobenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C10H13F2NO2S/c1-3-13(4-2)16(14,15)10-6-8(11)5-9(12)7-10/h5-7H,3-4H2,1-2H3
InChIKeyQALSJMBYAUDTSH-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.00
Rot. Bonds4

About N,N-diethyl-3,5-difluorobenzenesulfonamide

N,N-diethyl-3,5-difluorobenzenesulfonamide (PubChem CID 60700204) has the molecular formula C10H13F2NO2S and a molecular weight of 249.28 g/mol. Its IUPAC name is N,N-diethyl-3,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-3,5-difluorobenzenesulfonamide
PubChem CID60700204
Molecular FormulaC10H13F2NO2S
Molecular Weight249.28 g/mol
Exact Mass249.06
IUPAC NameN,N-diethyl-3,5-difluorobenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C10H13F2NO2S/c1-3-13(4-2)16(14,15)10-6-8(11)5-9(12)7-10/h5-7H,3-4H2,1-2H3
InChIKeyQALSJMBYAUDTSH-UHFFFAOYSA-N
XLogP2.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3,5-difluorobenzenesulfonamide?
The IUPAC name of N,N-diethyl-3,5-difluorobenzenesulfonamide (CID 60700204) is N,N-diethyl-3,5-difluorobenzenesulfonamide.
What is the SMILES notation for N,N-diethyl-3,5-difluorobenzenesulfonamide?
The canonical SMILES for N,N-diethyl-3,5-difluorobenzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(F)cc(F)c1.
What is the InChIKey of N,N-diethyl-3,5-difluorobenzenesulfonamide?
The InChIKey is QALSJMBYAUDTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2S/c1-3-13(4-2)16(14,15)10-6-8(11)5-9(12)7-10/h5-7H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-3,5-difluorobenzenesulfonamide?
N,N-diethyl-3,5-difluorobenzenesulfonamide has a molecular weight of 249.28 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3,5-difluorobenzenesulfonamide is sourced from PubChem (CID 60700204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).