N-(3-bromophenyl)-N-ethyl-2,2,2-trifluoroethanesulfonamide

C10H11BrF3NO2S — CID 167747926

IUPACN-(3-bromophenyl)-N-ethyl-2,2,2-trifluoroethanesulfonamide
SMILESCCN(c1cccc(Br)c1)S(=O)(=O)CC(F)(F)F
InChIInChI=1S/C10H11BrF3NO2S/c1-2-15(9-5-3-4-8(11)6-9)18(16,17)7-10(12,13)14/h3-6H,2,7H2,1H3
InChIKeyKPHHXTUWBWJZNF-UHFFFAOYSA-N
MW346.17 g/mol
LogP3.17
Rot. Bonds4

About N-(3-bromophenyl)-N-ethyl-2,2,2-trifluoroethanesulfonamide

N-(3-bromophenyl)-N-ethyl-2,2,2-trifluoroethanesulfonamide (PubChem CID 167747926) has the molecular formula C10H11BrF3NO2S and a molecular weight of 346.17 g/mol. Its IUPAC name is N-(3-bromophenyl)-N-ethyl-2,2,2-trifluoroethanesulfonamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-N-ethyl-2,2,2-trifluoroethanesulfonamide
PubChem CID167747926
Molecular FormulaC10H11BrF3NO2S
Molecular Weight346.17 g/mol
Exact Mass344.96
IUPAC NameN-(3-bromophenyl)-N-ethyl-2,2,2-trifluoroethanesulfonamide
SMILESCCN(c1cccc(Br)c1)S(=O)(=O)CC(F)(F)F
InChIInChI=1S/C10H11BrF3NO2S/c1-2-15(9-5-3-4-8(11)6-9)18(16,17)7-10(12,13)14/h3-6H,2,7H2,1H3
InChIKeyKPHHXTUWBWJZNF-UHFFFAOYSA-N
XLogP3.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.17
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N-ethyl-2,2,2-trifluoroethanesulfonamide?
The IUPAC name of N-(3-bromophenyl)-N-ethyl-2,2,2-trifluoroethanesulfonamide (CID 167747926) is N-(3-bromophenyl)-N-ethyl-2,2,2-trifluoroethanesulfonamide.
What is the SMILES notation for N-(3-bromophenyl)-N-ethyl-2,2,2-trifluoroethanesulfonamide?
The canonical SMILES for N-(3-bromophenyl)-N-ethyl-2,2,2-trifluoroethanesulfonamide is CCN(c1cccc(Br)c1)S(=O)(=O)CC(F)(F)F.
What is the InChIKey of N-(3-bromophenyl)-N-ethyl-2,2,2-trifluoroethanesulfonamide?
The InChIKey is KPHHXTUWBWJZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3NO2S/c1-2-15(9-5-3-4-8(11)6-9)18(16,17)7-10(12,13)14/h3-6H,2,7H2,1H3.
What are the key properties of N-(3-bromophenyl)-N-ethyl-2,2,2-trifluoroethanesulfonamide?
N-(3-bromophenyl)-N-ethyl-2,2,2-trifluoroethanesulfonamide has a molecular weight of 346.17 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-N-ethyl-2,2,2-trifluoroethanesulfonamide is sourced from PubChem (CID 167747926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).