N-(1-naphthalen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide

C19H16F3NO2S — CID 3856881

IUPACN-(1-naphthalen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C19H16F3NO2S/c1-13(15-7-6-14-4-2-3-5-16(14)12-15)23-26(24,25)18-10-8-17(9-11-18)19(20,21)22/h2-13,23H,1H3
InChIKeyIQCSVXKQISHZMU-UHFFFAOYSA-N
MW379.40 g/mol
LogP4.90
Rot. Bonds4

About N-(1-naphthalen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide

N-(1-naphthalen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 3856881) has the molecular formula C19H16F3NO2S and a molecular weight of 379.40 g/mol. Its IUPAC name is N-(1-naphthalen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-naphthalen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID3856881
Molecular FormulaC19H16F3NO2S
Molecular Weight379.40 g/mol
Exact Mass379.09
IUPAC NameN-(1-naphthalen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C19H16F3NO2S/c1-13(15-7-6-14-4-2-3-5-16(14)12-15)23-26(24,25)18-10-8-17(9-11-18)19(20,21)22/h2-13,23H,1H3
InChIKeyIQCSVXKQISHZMU-UHFFFAOYSA-N
XLogP4.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-1-naphthalen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 122227607
4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 43001289
N-(1-naphthalen-2-ylethyl)methanesulfonamide
CID 3715918
N-[1-(4-ethylphenyl)ethyl]naphthalene-2-sulfonamide
CID 22200980
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]naphthalene-2-sulfonamide
CID 133188833
4-methoxy-N-[(1R,2S)-2-[(4-methoxyphenyl)sulfonylamino]-1,2-dinaphthalen-2-ylethyl]benzenesulfonamide
CID 2794488
4-(methylsulfamoyl)-N-(1-naphthalen-2-ylethyl)benzamide
CID 51220036
ethyl 4-[1-[4-(trifluoromethyl)phenyl]ethylsulfamoyl]benzoate
CID 46596027
4-propan-2-yl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3791590
4-tert-butyl-N-[(1S)-1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 40744824
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 40663889
4-butan-2-yl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide
CID 22772316

Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(1-naphthalen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide (CID 3856881) is N-(1-naphthalen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(1-naphthalen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(1-naphthalen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide is CC(NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccc2ccccc2c1.
What is the InChIKey of N-(1-naphthalen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is IQCSVXKQISHZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO2S/c1-13(15-7-6-14-4-2-3-5-16(14)12-15)23-26(24,25)18-10-8-17(9-11-18)19(20,21)22/h2-13,23H,1H3.
What are the key properties of N-(1-naphthalen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide?
N-(1-naphthalen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 379.40 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 3856881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).