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

C8H6BrClF3NO2S — CID 106610757

IUPAC3-bromo-4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(F)(F)F)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C8H6BrClF3NO2S/c9-6-3-5(1-2-7(6)10)17(15,16)14-4-8(11,12)13/h1-3,14H,4H2
InChIKeyWKFZSOGTXUSZJO-UHFFFAOYSA-N
MW352.56 g/mol
LogP2.94
Rot. Bonds3

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

3-bromo-4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 106610757) has the molecular formula C8H6BrClF3NO2S and a molecular weight of 352.56 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID106610757
Molecular FormulaC8H6BrClF3NO2S
Molecular Weight352.56 g/mol
Exact Mass350.89
IUPAC Name3-bromo-4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(F)(F)F)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C8H6BrClF3NO2S/c9-6-3-5(1-2-7(6)10)17(15,16)14-4-8(11,12)13/h1-3,14H,4H2
InChIKeyWKFZSOGTXUSZJO-UHFFFAOYSA-N
XLogP2.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.56
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 4845266
(S)-4-Bromo-3-chloro-N-(1,1,1-trifluoropropan-2-yl)benzenesulfonamide
CID 121302013
4-bromo-3-chloro-N-(1,1,1-trifluoropropan-2-yl)benzenesulfonamide
CID 121302014
4-bromo-3-chloro-N-[(2S)-1,1,1-trifluorobutan-2-yl]benzenesulfonamide
CID 121302224
4-bromo-3-chloro-N-(1,1,1-trifluorobutan-2-yl)benzenesulfonamide
CID 121302225
5-Bromo-4-chloro-2-fluorobenzenesulfonamide
CID 124252340
4-bromo-3-chloro-N-(3,3-difluorocyclobutyl)benzenesulfonamide
CID 134362332
4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 142344680
2-bromo-3-chloro-N-(3,3-difluorocyclobutyl)benzenesulfonamide
CID 150656815
4-bromo-2-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 54918011
4-bromo-2-chloro-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 63227872
4-bromo-2-chloro-N-(4,4,4-trifluorobutyl)benzenesulfonamide
CID 79040165

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 106610757) is 3-bromo-4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide is O=S(=O)(NCC(F)(F)F)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is WKFZSOGTXUSZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClF3NO2S/c9-6-3-5(1-2-7(6)10)17(15,16)14-4-8(11,12)13/h1-3,14H,4H2.
What are the key properties of 3-bromo-4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
3-bromo-4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 352.56 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 106610757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).