N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide

C11H14F3NO2S — CID 5088839

IUPACN,N-diethyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H14F3NO2S/c1-3-15(4-2)18(16,17)10-7-5-6-9(8-10)11(12,13)14/h5-8H,3-4H2,1-2H3
InChIKeyXASCMPPKGIUMLF-UHFFFAOYSA-N
MW281.30 g/mol
LogP2.74
Rot. Bonds4

About N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide

N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 5088839) has the molecular formula C11H14F3NO2S and a molecular weight of 281.30 g/mol. Its IUPAC name is N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID5088839
Molecular FormulaC11H14F3NO2S
Molecular Weight281.30 g/mol
Exact Mass281.07
IUPAC NameN,N-diethyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H14F3NO2S/c1-3-15(4-2)18(16,17)10-7-5-6-9(8-10)11(12,13)14/h5-8H,3-4H2,1-2H3
InChIKeyXASCMPPKGIUMLF-UHFFFAOYSA-N
XLogP2.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 79378419
N,N-diethyl-4-(methylamino)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
CID 25331420
3-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2666414
N-(3-bromophenyl)-N-ethyl-3-(trifluoromethyl)benzenesulfonamide
CID 123900424
4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2666437
N,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 31010892
N-(5-chloro-2-methylphenyl)-2-[ethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 2119470
N-[3-(diethylsulfamoyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 17432681
N-hydroxy-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 22907211
N-methyl-N-[2-(methylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120718024
4-(diethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 6503209
N-(1-methylpiperidin-4-yl)-N-propyl-3-(trifluoromethyl)benzenesulfonamide
CID 3309976

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide (CID 5088839) is N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide is CCN(CC)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is XASCMPPKGIUMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2S/c1-3-15(4-2)18(16,17)10-7-5-6-9(8-10)11(12,13)14/h5-8H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide?
N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 281.30 g/mol, XLogP of 2.74, 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-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 5088839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).