N-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]-4-fluorobutane-1-sulfonamide

C10H11ClF4N2O2S — CID 167907727

IUPACN-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]-4-fluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCCF)Nc1ccc(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C10H11ClF4N2O2S/c11-7-3-4-8(16-9(7)10(13,14)15)17-20(18,19)6-2-1-5-12/h3-4H,1-2,5-6H2,(H,16,17)
InChIKeyRQJZXYOCVYJHSY-UHFFFAOYSA-N
MW334.72 g/mol
LogP3.25
Rot. Bonds6

About N-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]-4-fluorobutane-1-sulfonamide

N-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]-4-fluorobutane-1-sulfonamide (PubChem CID 167907727) has the molecular formula C10H11ClF4N2O2S and a molecular weight of 334.72 g/mol. Its IUPAC name is N-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]-4-fluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]-4-fluorobutane-1-sulfonamide
PubChem CID167907727
Molecular FormulaC10H11ClF4N2O2S
Molecular Weight334.72 g/mol
Exact Mass334.02
IUPAC NameN-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]-4-fluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCCF)Nc1ccc(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C10H11ClF4N2O2S/c11-7-3-4-8(16-9(7)10(13,14)15)17-20(18,19)6-2-1-5-12/h3-4H,1-2,5-6H2,(H,16,17)
InChIKeyRQJZXYOCVYJHSY-UHFFFAOYSA-N
XLogP3.25
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.72
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]-4-fluorobutane-1-sulfonamide?
The IUPAC name of N-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]-4-fluorobutane-1-sulfonamide (CID 167907727) is N-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]-4-fluorobutane-1-sulfonamide.
What is the SMILES notation for N-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]-4-fluorobutane-1-sulfonamide?
The canonical SMILES for N-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]-4-fluorobutane-1-sulfonamide is O=S(=O)(CCCCF)Nc1ccc(Cl)c(C(F)(F)F)n1.
What is the InChIKey of N-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]-4-fluorobutane-1-sulfonamide?
The InChIKey is RQJZXYOCVYJHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF4N2O2S/c11-7-3-4-8(16-9(7)10(13,14)15)17-20(18,19)6-2-1-5-12/h3-4H,1-2,5-6H2,(H,16,17).
What are the key properties of N-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]-4-fluorobutane-1-sulfonamide?
N-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]-4-fluorobutane-1-sulfonamide has a molecular weight of 334.72 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]-4-fluorobutane-1-sulfonamide is sourced from PubChem (CID 167907727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).