4-bromo-N-propyl-2-(trifluoromethyl)benzenesulfonamide

C10H11BrF3NO2S — CID 47304372

IUPAC4-bromo-N-propyl-2-(trifluoromethyl)benzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C10H11BrF3NO2S/c1-2-5-15-18(16,17)9-4-3-7(11)6-8(9)10(12,13)14/h3-4,6,15H,2,5H2,1H3
InChIKeyBYNUGCTUXJPTOF-UHFFFAOYSA-N
MW346.17 g/mol
LogP3.16
Rot. Bonds4

About 4-bromo-N-propyl-2-(trifluoromethyl)benzenesulfonamide

4-bromo-N-propyl-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 47304372) has the molecular formula C10H11BrF3NO2S and a molecular weight of 346.17 g/mol. Its IUPAC name is 4-bromo-N-propyl-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-propyl-2-(trifluoromethyl)benzenesulfonamide
PubChem CID47304372
Molecular FormulaC10H11BrF3NO2S
Molecular Weight346.17 g/mol
Exact Mass344.96
IUPAC Name4-bromo-N-propyl-2-(trifluoromethyl)benzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C10H11BrF3NO2S/c1-2-5-15-18(16,17)9-4-3-7(11)6-8(9)10(12,13)14/h3-4,6,15H,2,5H2,1H3
InChIKeyBYNUGCTUXJPTOF-UHFFFAOYSA-N
XLogP3.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.17
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4-bromo-2-methylbenzenesulfonamide
CID 760027
4-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 1320970
N-benzyl-4-bromo-2-ethylbenzenesulfonamide
CID 3552129
4-Bromo-2-(trifluoromethyl)benzenesulfonamide
CID 2778392
4-bromo-N,3-dimethylbenzenesulfonamide
CID 8468070
5-bromo-N,2-dimethylbenzene-1-sulfonamide
CID 8777805
4-bromo-N-ethyl-3-methylbenzene-1-sulfonamide
CID 43212850
4-bromo-2-ethyl-N-(1-methoxybutan-2-yl)benzenesulfonamide
CID 3341610
4-bromo-2-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 3552130
4-bromo-N-(2-cyanoethyl)-2-ethylbenzenesulfonamide
CID 3697325
1-[4-Bromo-2-(trifluoromethyl)phenyl]sulfonyl-4-methylpiperazine
CID 172435767
N-(3-bromo-5,5,5-trifluoropentyl)-4-methylbenzenesulfonamide
CID 142737360

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-propyl-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-propyl-2-(trifluoromethyl)benzenesulfonamide (CID 47304372) is 4-bromo-N-propyl-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-propyl-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-propyl-2-(trifluoromethyl)benzenesulfonamide is CCCNS(=O)(=O)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 4-bromo-N-propyl-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is BYNUGCTUXJPTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3NO2S/c1-2-5-15-18(16,17)9-4-3-7(11)6-8(9)10(12,13)14/h3-4,6,15H,2,5H2,1H3.
What are the key properties of 4-bromo-N-propyl-2-(trifluoromethyl)benzenesulfonamide?
4-bromo-N-propyl-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 346.17 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-propyl-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 47304372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).