N-[4-bromo-3-(trifluoromethyl)phenyl]propane-2-sulfonamide

C10H11BrF3NO2S — CID 62999284

IUPACN-[4-bromo-3-(trifluoromethyl)phenyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C10H11BrF3NO2S/c1-6(2)18(16,17)15-7-3-4-9(11)8(5-7)10(12,13)14/h3-6,15H,1-2H3
InChIKeyXDLHKIXIZGMYBF-UHFFFAOYSA-N
MW346.17 g/mol
LogP3.62
Rot. Bonds3

About N-[4-bromo-3-(trifluoromethyl)phenyl]propane-2-sulfonamide

N-[4-bromo-3-(trifluoromethyl)phenyl]propane-2-sulfonamide (PubChem CID 62999284) has the molecular formula C10H11BrF3NO2S and a molecular weight of 346.17 g/mol. Its IUPAC name is N-[4-bromo-3-(trifluoromethyl)phenyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-bromo-3-(trifluoromethyl)phenyl]propane-2-sulfonamide
PubChem CID62999284
Molecular FormulaC10H11BrF3NO2S
Molecular Weight346.17 g/mol
Exact Mass344.96
IUPAC NameN-[4-bromo-3-(trifluoromethyl)phenyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C10H11BrF3NO2S/c1-6(2)18(16,17)15-7-3-4-9(11)8(5-7)10(12,13)14/h3-6,15H,1-2H3
InChIKeyXDLHKIXIZGMYBF-UHFFFAOYSA-N
XLogP3.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.17
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Bromo-3-(trifluoromethyl)aniline
CID 67852
N-(2-bromophenyl)-1-phenylmethanesulfonamide
CID 884918
N-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 594873
N-(4-bromo-2-methylphenyl)methanesulfonamide
CID 669156
(E)-2-(4-bromophenyl)-N-(4-fluorophenyl)ethenesulfonamide
CID 71745138
N-(3-bromophenyl)-1-phenylmethanesulfonamide
CID 772065
(E)-N-(4-bromophenyl)-2-phenylethenesulfonamide
CID 6304004
N-(4-bromo-2-ethylphenyl)ethanesulfonamide
CID 6464405
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-fluorobenzenesulfonamide
CID 3842346
N-(4-bromo-2-fluorophenyl)-1-phenylmethanesulfonamide
CID 744043
N-[3-(trifluoromethyl)phenyl]ethanesulfonamide
CID 5189076
N-(4-bromo-3-methylphenyl)methanesulfonamide
CID 772005

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]propane-2-sulfonamide?
The IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]propane-2-sulfonamide (CID 62999284) is N-[4-bromo-3-(trifluoromethyl)phenyl]propane-2-sulfonamide.
What is the SMILES notation for N-[4-bromo-3-(trifluoromethyl)phenyl]propane-2-sulfonamide?
The canonical SMILES for N-[4-bromo-3-(trifluoromethyl)phenyl]propane-2-sulfonamide is CC(C)S(=O)(=O)Nc1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-bromo-3-(trifluoromethyl)phenyl]propane-2-sulfonamide?
The InChIKey is XDLHKIXIZGMYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3NO2S/c1-6(2)18(16,17)15-7-3-4-9(11)8(5-7)10(12,13)14/h3-6,15H,1-2H3.
What are the key properties of N-[4-bromo-3-(trifluoromethyl)phenyl]propane-2-sulfonamide?
N-[4-bromo-3-(trifluoromethyl)phenyl]propane-2-sulfonamide has a molecular weight of 346.17 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-3-(trifluoromethyl)phenyl]propane-2-sulfonamide is sourced from PubChem (CID 62999284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).