N-[2-bromo-5-(trifluoromethyl)phenyl]-2-chloroethanesulfonamide

C9H8BrClF3NO2S — CID 114043489

IUPACN-[2-bromo-5-(trifluoromethyl)phenyl]-2-chloroethanesulfonamide
SMILESO=S(=O)(CCCl)Nc1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C9H8BrClF3NO2S/c10-7-2-1-6(9(12,13)14)5-8(7)15-18(16,17)4-3-11/h1-2,5,15H,3-4H2
InChIKeyCCHQGVFGHDIMBW-UHFFFAOYSA-N
MW366.59 g/mol
LogP3.45
Rot. Bonds4

About N-[2-bromo-5-(trifluoromethyl)phenyl]-2-chloroethanesulfonamide

N-[2-bromo-5-(trifluoromethyl)phenyl]-2-chloroethanesulfonamide (PubChem CID 114043489) has the molecular formula C9H8BrClF3NO2S and a molecular weight of 366.59 g/mol. Its IUPAC name is N-[2-bromo-5-(trifluoromethyl)phenyl]-2-chloroethanesulfonamide.

Molecular Properties

Compound NameN-[2-bromo-5-(trifluoromethyl)phenyl]-2-chloroethanesulfonamide
PubChem CID114043489
Molecular FormulaC9H8BrClF3NO2S
Molecular Weight366.59 g/mol
Exact Mass364.91
IUPAC NameN-[2-bromo-5-(trifluoromethyl)phenyl]-2-chloroethanesulfonamide
SMILESO=S(=O)(CCCl)Nc1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C9H8BrClF3NO2S/c10-7-2-1-6(9(12,13)14)5-8(7)15-18(16,17)4-3-11/h1-2,5,15H,3-4H2
InChIKeyCCHQGVFGHDIMBW-UHFFFAOYSA-N
XLogP3.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.59
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 113220712
N-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyanomethanesulfonamide
CID 114042872
3-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]propane-1-sulfonamide
CID 66476430
1-amino-N-[2-bromo-5-(trifluoromethyl)phenyl]propane-2-sulfonamide
CID 106090013
2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 63037026
3-chloro-N-[2-cyano-4-(trifluoromethyl)phenyl]propane-1-sulfonamide
CID 115911470
2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 107652535
N-(5-bromo-2-fluorophenyl)-2-chloroethanesulfonamide
CID 107650897
1-bromo-N-[2-methyl-5-(trifluoromethyl)phenyl]methanesulfonamide
CID 83086802
N-[2-bromo-5-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
CID 3800442
N-[2-bromo-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzenesulfonamide
CID 3673707
N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 22773510

Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-5-(trifluoromethyl)phenyl]-2-chloroethanesulfonamide?
The IUPAC name of N-[2-bromo-5-(trifluoromethyl)phenyl]-2-chloroethanesulfonamide (CID 114043489) is N-[2-bromo-5-(trifluoromethyl)phenyl]-2-chloroethanesulfonamide.
What is the SMILES notation for N-[2-bromo-5-(trifluoromethyl)phenyl]-2-chloroethanesulfonamide?
The canonical SMILES for N-[2-bromo-5-(trifluoromethyl)phenyl]-2-chloroethanesulfonamide is O=S(=O)(CCCl)Nc1cc(C(F)(F)F)ccc1Br.
What is the InChIKey of N-[2-bromo-5-(trifluoromethyl)phenyl]-2-chloroethanesulfonamide?
The InChIKey is CCHQGVFGHDIMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClF3NO2S/c10-7-2-1-6(9(12,13)14)5-8(7)15-18(16,17)4-3-11/h1-2,5,15H,3-4H2.
What are the key properties of N-[2-bromo-5-(trifluoromethyl)phenyl]-2-chloroethanesulfonamide?
N-[2-bromo-5-(trifluoromethyl)phenyl]-2-chloroethanesulfonamide has a molecular weight of 366.59 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-5-(trifluoromethyl)phenyl]-2-chloroethanesulfonamide is sourced from PubChem (CID 114043489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).