4-ethyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide

C15H14F3NO3S — CID 3503977

IUPAC4-ethyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccccc2OC(F)(F)F)cc1
InChIInChI=1S/C15H14F3NO3S/c1-2-11-7-9-12(10-8-11)23(20,21)19-13-5-3-4-6-14(13)22-15(16,17)18/h3-10,19H,2H2,1H3
InChIKeyTXFBDLHXZFJTGW-UHFFFAOYSA-N
MW345.34 g/mol
LogP3.95
Rot. Bonds5

About 4-ethyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide

4-ethyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide (PubChem CID 3503977) has the molecular formula C15H14F3NO3S and a molecular weight of 345.34 g/mol. Its IUPAC name is 4-ethyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
PubChem CID3503977
Molecular FormulaC15H14F3NO3S
Molecular Weight345.34 g/mol
Exact Mass345.06
IUPAC Name4-ethyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccccc2OC(F)(F)F)cc1
InChIInChI=1S/C15H14F3NO3S/c1-2-11-7-9-12(10-8-11)23(20,21)19-13-5-3-4-6-14(13)22-15(16,17)18/h3-10,19H,2H2,1H3
InChIKeyTXFBDLHXZFJTGW-UHFFFAOYSA-N
XLogP3.95
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.34
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 3869376
N-(4-ethylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154312
3,4-dichloro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 3460603
2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 31071215
2,4-difluoro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 3851198
2,5-difluoro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 27301700
4-(aminomethyl)-N-(2-ethoxyphenyl)benzenesulfonamide
CID 28546723
3-methyl-N-[2-(trifluoromethoxy)phenyl]butane-1-sulfonamide
CID 56532305
N-(2-propoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 31069220
N-(2-iodophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 26952500
4-(bromomethyl)-N-(2-methoxyphenyl)benzenesulfonamide
CID 65481190
4-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3813923

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide (CID 3503977) is 4-ethyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2ccccc2OC(F)(F)F)cc1.
What is the InChIKey of 4-ethyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide?
The InChIKey is TXFBDLHXZFJTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO3S/c1-2-11-7-9-12(10-8-11)23(20,21)19-13-5-3-4-6-14(13)22-15(16,17)18/h3-10,19H,2H2,1H3.
What are the key properties of 4-ethyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide?
4-ethyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide has a molecular weight of 345.34 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide is sourced from PubChem (CID 3503977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).