3-bromo-4-chloro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C11H12BrClF3NO2S — CID 106611841

IUPAC3-bromo-4-chloro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H12BrClF3NO2S/c1-2-5-17(7-11(14,15)16)20(18,19)8-3-4-10(13)9(12)6-8/h3-4,6H,2,5,7H2,1H3
InChIKeyUEVXAMIOVLRVON-UHFFFAOYSA-N
MW394.64 g/mol
LogP4.07
Rot. Bonds5

About 3-bromo-4-chloro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

3-bromo-4-chloro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 106611841) has the molecular formula C11H12BrClF3NO2S and a molecular weight of 394.64 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID106611841
Molecular FormulaC11H12BrClF3NO2S
Molecular Weight394.64 g/mol
Exact Mass392.94
IUPAC Name3-bromo-4-chloro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H12BrClF3NO2S/c1-2-5-17(7-11(14,15)16)20(18,19)8-3-4-10(13)9(12)6-8/h3-4,6H,2,5,7H2,1H3
InChIKeyUEVXAMIOVLRVON-UHFFFAOYSA-N
XLogP4.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.64
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-chloro-2-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 121303979
1-(4-Bromo-3-chlorophenyl)sulfonyl-3,3-difluoroazetidine
CID 141754332
3-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 54941960
4-bromo-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 54941961
5-bromo-2-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 56280540
3-bromo-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60757222
4-bromo-2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61217134
4-bromo-2-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 61384512
3-bromo-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 61384522
3-bromo-4-chloro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106214866
3-bromo-4-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106432524
1-(3-Bromo-4-chlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine
CID 106545197

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 106611841) is 3-bromo-4-chloro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is CCCN(CC(F)(F)F)S(=O)(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is UEVXAMIOVLRVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClF3NO2S/c1-2-5-17(7-11(14,15)16)20(18,19)8-3-4-10(13)9(12)6-8/h3-4,6H,2,5,7H2,1H3.
What are the key properties of 3-bromo-4-chloro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
3-bromo-4-chloro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 394.64 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 106611841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).