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

C11H10BrClF3NO2S — CID 61384850

IUPAC4-bromo-2-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Br)cc1Cl)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H10BrClF3NO2S/c12-7-1-4-10(9(13)5-7)20(18,19)17(8-2-3-8)6-11(14,15)16/h1,4-5,8H,2-3,6H2
InChIKeyVPUQHZNNSBJVHG-UHFFFAOYSA-N
MW392.62 g/mol
LogP3.82
Rot. Bonds4

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

4-bromo-2-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 61384850) has the molecular formula C11H10BrClF3NO2S and a molecular weight of 392.62 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID61384850
Molecular FormulaC11H10BrClF3NO2S
Molecular Weight392.62 g/mol
Exact Mass390.93
IUPAC Name4-bromo-2-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Br)cc1Cl)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H10BrClF3NO2S/c12-7-1-4-10(9(13)5-7)20(18,19)17(8-2-3-8)6-11(14,15)16/h1,4-5,8H,2-3,6H2
InChIKeyVPUQHZNNSBJVHG-UHFFFAOYSA-N
XLogP3.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.62
LogP ≤ 53.82
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-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 61384850) is 4-bromo-2-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is O=S(=O)(c1ccc(Br)cc1Cl)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 4-bromo-2-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is VPUQHZNNSBJVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClF3NO2S/c12-7-1-4-10(9(13)5-7)20(18,19)17(8-2-3-8)6-11(14,15)16/h1,4-5,8H,2-3,6H2.
What are the key properties of 4-bromo-2-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
4-bromo-2-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 392.62 g/mol, XLogP of 3.82, 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-cyclopropyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 61384850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).