N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(trifluoromethyl)benzenesulfonamide

C16H20F3NO2S — CID 4964620

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cccc(C(F)(F)F)c1)C1CC2CCC1C2
InChIInChI=1S/C16H20F3NO2S/c1-10(15-8-11-5-6-12(15)7-11)20-23(21,22)14-4-2-3-13(9-14)16(17,18)19/h2-4,9-12,15,20H,5-8H2,1H3
InChIKeyAKCCVQVHZHCDFG-UHFFFAOYSA-N
MW347.40 g/mol
LogP3.81
Rot. Bonds4

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(trifluoromethyl)benzenesulfonamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 4964620) has the molecular formula C16H20F3NO2S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID4964620
Molecular FormulaC16H20F3NO2S
Molecular Weight347.40 g/mol
Exact Mass347.12
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cccc(C(F)(F)F)c1)C1CC2CCC1C2
InChIInChI=1S/C16H20F3NO2S/c1-10(15-8-11-5-6-12(15)7-11)20-23(21,22)14-4-2-3-13(9-14)16(17,18)19/h2-4,9-12,15,20H,5-8H2,1H3
InChIKeyAKCCVQVHZHCDFG-UHFFFAOYSA-N
XLogP3.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2548756
3-acetyl-N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide
CID 98348700
3-acetyl-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide
CID 98348707
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-methylbenzenesulfonamide
CID 98371302
4-amino-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide
CID 98148800
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 19681517
4-amino-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide
CID 98055018
3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-hydroxybenzenesulfonamide
CID 43100175
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-cyanobenzenesulfonamide
CID 43080895
N-[2-[[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]-3-(trifluoromethyl)benzamide
CID 98724622
6-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pyridine-3-sulfonamide
CID 62148889
N-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]phenyl]-2-methylpropanamide
CID 42999766

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(trifluoromethyl)benzenesulfonamide (CID 4964620) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(trifluoromethyl)benzenesulfonamide is CC(NS(=O)(=O)c1cccc(C(F)(F)F)c1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is AKCCVQVHZHCDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO2S/c1-10(15-8-11-5-6-12(15)7-11)20-23(21,22)14-4-2-3-13(9-14)16(17,18)19/h2-4,9-12,15,20H,5-8H2,1H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 347.40 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 4964620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).