N-(4-chloro-2-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide

C9H10ClF3N2O2S — CID 115968063

IUPACN-(4-chloro-2-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)Nc1cc(Cl)ccn1
InChIInChI=1S/C9H10ClF3N2O2S/c10-7-2-4-14-8(6-7)15-18(16,17)5-1-3-9(11,12)13/h2,4,6H,1,3,5H2,(H,14,15)
InChIKeyFFMLIMAXFRSOQZ-UHFFFAOYSA-N
MW302.71 g/mol
LogP2.82
Rot. Bonds5

About N-(4-chloro-2-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide

N-(4-chloro-2-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 115968063) has the molecular formula C9H10ClF3N2O2S and a molecular weight of 302.71 g/mol. Its IUPAC name is N-(4-chloro-2-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID115968063
Molecular FormulaC9H10ClF3N2O2S
Molecular Weight302.71 g/mol
Exact Mass302.01
IUPAC NameN-(4-chloro-2-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)Nc1cc(Cl)ccn1
InChIInChI=1S/C9H10ClF3N2O2S/c10-7-2-4-14-8(6-7)15-18(16,17)5-1-3-9(11,12)13/h2,4,6H,1,3,5H2,(H,14,15)
InChIKeyFFMLIMAXFRSOQZ-UHFFFAOYSA-N
XLogP2.82
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.71
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-pyridinyl)butane-1-sulfonamide
CID 104821756
N-(4-chloro-2-pyridinyl)sulfamoyl chloride
CID 84760693
N-(2-chloro-3-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 103943751
4,4,4-trifluoro-N-(1H-pyrazol-5-yl)butane-1-sulfonamide
CID 83057926
N-(5-amino-2-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83068756
N-(2-bromo-5-chloro-3-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 112750103
4-chloro-2-(4,4,4-trifluorobutylsulfonylamino)benzoic acid
CID 83046870
4-chloro-N-(methylsulfamoyl)pyridin-2-amine
CID 114813660
N-(2-chloro-4-iodophenyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 107606863
N-(4-methyl-2-pyridinyl)butane-1-sulfonamide
CID 19683113
N-(2-chloro-4-cyanophenyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 103580529
4-chloro-N-(propylsulfamoyl)pyridin-2-amine
CID 114813663

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(4-chloro-2-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide (CID 115968063) is N-(4-chloro-2-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(4-chloro-2-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(4-chloro-2-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide is O=S(=O)(CCCC(F)(F)F)Nc1cc(Cl)ccn1.
What is the InChIKey of N-(4-chloro-2-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is FFMLIMAXFRSOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2O2S/c10-7-2-4-14-8(6-7)15-18(16,17)5-1-3-9(11,12)13/h2,4,6H,1,3,5H2,(H,14,15).
What are the key properties of N-(4-chloro-2-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(4-chloro-2-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 302.71 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyridinyl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 115968063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).