3-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C11H11BrF3NO2S — CID 54983762

IUPAC3-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESO=S(=O)(c1cccc(Br)c1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H11BrF3NO2S/c12-8-2-1-3-10(6-8)19(17,18)16(9-4-5-9)7-11(13,14)15/h1-3,6,9H,4-5,7H2
InChIKeyMOXVTRKJWDXCKV-UHFFFAOYSA-N
MW358.18 g/mol
LogP3.16
Rot. Bonds4

About 3-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

3-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 54983762) has the molecular formula C11H11BrF3NO2S and a molecular weight of 358.18 g/mol. Its IUPAC name is 3-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID54983762
Molecular FormulaC11H11BrF3NO2S
Molecular Weight358.18 g/mol
Exact Mass356.96
IUPAC Name3-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESO=S(=O)(c1cccc(Br)c1)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H11BrF3NO2S/c12-8-2-1-3-10(6-8)19(17,18)16(9-4-5-9)7-11(13,14)15/h1-3,6,9H,4-5,7H2
InChIKeyMOXVTRKJWDXCKV-UHFFFAOYSA-N
XLogP3.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.18
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 54983762) is 3-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is O=S(=O)(c1cccc(Br)c1)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 3-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is MOXVTRKJWDXCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3NO2S/c12-8-2-1-3-10(6-8)19(17,18)16(9-4-5-9)7-11(13,14)15/h1-3,6,9H,4-5,7H2.
What are the key properties of 3-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
3-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 358.18 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 54983762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).