4-bromo-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C10H10BrClF3NO2S — CID 54941961

IUPAC4-bromo-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H10BrClF3NO2S/c1-2-16(6-10(13,14)15)19(17,18)9-4-3-7(11)5-8(9)12/h3-5H,2,6H2,1H3
InChIKeyFDWSEACYRIKGJP-UHFFFAOYSA-N
MW380.61 g/mol
LogP3.68
Rot. Bonds4

About 4-bromo-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

4-bromo-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 54941961) has the molecular formula C10H10BrClF3NO2S and a molecular weight of 380.61 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID54941961
Molecular FormulaC10H10BrClF3NO2S
Molecular Weight380.61 g/mol
Exact Mass378.93
IUPAC Name4-bromo-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H10BrClF3NO2S/c1-2-16(6-10(13,14)15)19(17,18)9-4-3-7(11)5-8(9)12/h3-5H,2,6H2,1H3
InChIKeyFDWSEACYRIKGJP-UHFFFAOYSA-N
XLogP3.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.61
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 54941961) is 4-bromo-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is CCN(CC(F)(F)F)S(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is FDWSEACYRIKGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClF3NO2S/c1-2-16(6-10(13,14)15)19(17,18)9-4-3-7(11)5-8(9)12/h3-5H,2,6H2,1H3.
What are the key properties of 4-bromo-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
4-bromo-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 380.61 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 54941961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).