N,N-diethyl-4-[4-(trifluoromethylsulfonyl)phenoxy]benzenesulfonamide

C17H18F3NO5S2 — CID 13078532

IUPACN,N-diethyl-4-[4-(trifluoromethylsulfonyl)phenoxy]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H18F3NO5S2/c1-3-21(4-2)28(24,25)16-11-7-14(8-12-16)26-13-5-9-15(10-6-13)27(22,23)17(18,19)20/h5-12H,3-4H2,1-2H3
InChIKeyIQQWXSSRNDMBRC-UHFFFAOYSA-N
MW437.46 g/mol
LogP3.80
Rot. Bonds7

About N,N-diethyl-4-[4-(trifluoromethylsulfonyl)phenoxy]benzenesulfonamide

N,N-diethyl-4-[4-(trifluoromethylsulfonyl)phenoxy]benzenesulfonamide (PubChem CID 13078532) has the molecular formula C17H18F3NO5S2 and a molecular weight of 437.46 g/mol. Its IUPAC name is N,N-diethyl-4-[4-(trifluoromethylsulfonyl)phenoxy]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[4-(trifluoromethylsulfonyl)phenoxy]benzenesulfonamide
PubChem CID13078532
Molecular FormulaC17H18F3NO5S2
Molecular Weight437.46 g/mol
Exact Mass437.06
IUPAC NameN,N-diethyl-4-[4-(trifluoromethylsulfonyl)phenoxy]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H18F3NO5S2/c1-3-21(4-2)28(24,25)16-11-7-14(8-12-16)26-13-5-9-15(10-6-13)27(22,23)17(18,19)20/h5-12H,3-4H2,1-2H3
InChIKeyIQQWXSSRNDMBRC-UHFFFAOYSA-N
XLogP3.80
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dipropyl-4-(trifluoromethoxy)benzenesulfonamide
CID 17154292
N,N-diethyl-4-(trifluoromethylsulfonyl)aniline
CID 890760
N-butyl-N-propyl-4-(trifluoromethoxy)benzenesulfonamide
CID 71107488
4-[4-[bis(2-methylpropyl)sulfamoyl]phenoxy]-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 166402119
4-(2-amino-1,1,1,3,3,3-hexafluoropropan-2-yl)-N,N-diethylbenzenesulfonamide
CID 24996616
1-pentoxy-4-(trifluoromethylsulfonyl)benzene
CID 121373523
N,N-diethyl-4-prop-2-enoxybenzenesulfonamide
CID 141457908
N,N-diethyl-4-trimethylsilylbenzenesulfonamide
CID 11254658
(2,3,4,5,6-pentafluorophenyl) 4-(diethylsulfamoyl)benzoate
CID 19096174
[4-(diethylsulfamoyl)phenyl]azanium
CID 163754929
N,N-diethyl-4-sulfanylbenzenesulfonamide
CID 15027344
(4-benzoylphenyl) 4-(diethylsulfamoyl)benzoate
CID 2678971

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[4-(trifluoromethylsulfonyl)phenoxy]benzenesulfonamide?
The IUPAC name of N,N-diethyl-4-[4-(trifluoromethylsulfonyl)phenoxy]benzenesulfonamide (CID 13078532) is N,N-diethyl-4-[4-(trifluoromethylsulfonyl)phenoxy]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-[4-(trifluoromethylsulfonyl)phenoxy]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-[4-(trifluoromethylsulfonyl)phenoxy]benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1.
What is the InChIKey of N,N-diethyl-4-[4-(trifluoromethylsulfonyl)phenoxy]benzenesulfonamide?
The InChIKey is IQQWXSSRNDMBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO5S2/c1-3-21(4-2)28(24,25)16-11-7-14(8-12-16)26-13-5-9-15(10-6-13)27(22,23)17(18,19)20/h5-12H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4-[4-(trifluoromethylsulfonyl)phenoxy]benzenesulfonamide?
N,N-diethyl-4-[4-(trifluoromethylsulfonyl)phenoxy]benzenesulfonamide has a molecular weight of 437.46 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[4-(trifluoromethylsulfonyl)phenoxy]benzenesulfonamide is sourced from PubChem (CID 13078532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).