N-(2-bromo-5-chlorophenyl)-4,4,4-trifluorobutane-1-sulfonamide

C10H10BrClF3NO2S — CID 83059262

IUPACN-(2-bromo-5-chlorophenyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C10H10BrClF3NO2S/c11-8-3-2-7(12)6-9(8)16-19(17,18)5-1-4-10(13,14)15/h2-3,6,16H,1,4-5H2
InChIKeyNECXLVCRZFPZPC-UHFFFAOYSA-N
MW380.61 g/mol
LogP4.19
Rot. Bonds5

About N-(2-bromo-5-chlorophenyl)-4,4,4-trifluorobutane-1-sulfonamide

N-(2-bromo-5-chlorophenyl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83059262) has the molecular formula C10H10BrClF3NO2S and a molecular weight of 380.61 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83059262
Molecular FormulaC10H10BrClF3NO2S
Molecular Weight380.61 g/mol
Exact Mass378.93
IUPAC NameN-(2-bromo-5-chlorophenyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C10H10BrClF3NO2S/c11-8-3-2-7(12)6-9(8)16-19(17,18)5-1-4-10(13,14)15/h2-3,6,16H,1,4-5H2
InChIKeyNECXLVCRZFPZPC-UHFFFAOYSA-N
XLogP4.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.61
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(2-bromo-5-chlorophenyl)-4,4,4-trifluorobutane-1-sulfonamide (CID 83059262) is N-(2-bromo-5-chlorophenyl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)-4,4,4-trifluorobutane-1-sulfonamide is O=S(=O)(CCCC(F)(F)F)Nc1cc(Cl)ccc1Br.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is NECXLVCRZFPZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClF3NO2S/c11-8-3-2-7(12)6-9(8)16-19(17,18)5-1-4-10(13,14)15/h2-3,6,16H,1,4-5H2.
What are the key properties of N-(2-bromo-5-chlorophenyl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(2-bromo-5-chlorophenyl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 380.61 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chlorophenyl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83059262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).