N-(3-chloropyrazin-2-yl)-4,4,4-trifluorobutane-1-sulfonamide

C8H9ClF3N3O2S — CID 102990114

IUPACN-(3-chloropyrazin-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)Nc1nccnc1Cl
InChIInChI=1S/C8H9ClF3N3O2S/c9-6-7(14-4-3-13-6)15-18(16,17)5-1-2-8(10,11)12/h3-4H,1-2,5H2,(H,14,15)
InChIKeyBYMWRWUKXLOTCC-UHFFFAOYSA-N
MW303.69 g/mol
LogP2.21
Rot. Bonds5

About N-(3-chloropyrazin-2-yl)-4,4,4-trifluorobutane-1-sulfonamide

N-(3-chloropyrazin-2-yl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 102990114) has the molecular formula C8H9ClF3N3O2S and a molecular weight of 303.69 g/mol. Its IUPAC name is N-(3-chloropyrazin-2-yl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-chloropyrazin-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID102990114
Molecular FormulaC8H9ClF3N3O2S
Molecular Weight303.69 g/mol
Exact Mass303.01
IUPAC NameN-(3-chloropyrazin-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)Nc1nccnc1Cl
InChIInChI=1S/C8H9ClF3N3O2S/c9-6-7(14-4-3-13-6)15-18(16,17)5-1-2-8(10,11)12/h3-4H,1-2,5H2,(H,14,15)
InChIKeyBYMWRWUKXLOTCC-UHFFFAOYSA-N
XLogP2.21
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.69
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloropyrazin-2-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(3-chloropyrazin-2-yl)-4,4,4-trifluorobutane-1-sulfonamide (CID 102990114) is N-(3-chloropyrazin-2-yl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(3-chloropyrazin-2-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(3-chloropyrazin-2-yl)-4,4,4-trifluorobutane-1-sulfonamide is O=S(=O)(CCCC(F)(F)F)Nc1nccnc1Cl.
What is the InChIKey of N-(3-chloropyrazin-2-yl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is BYMWRWUKXLOTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N3O2S/c9-6-7(14-4-3-13-6)15-18(16,17)5-1-2-8(10,11)12/h3-4H,1-2,5H2,(H,14,15).
What are the key properties of N-(3-chloropyrazin-2-yl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(3-chloropyrazin-2-yl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 303.69 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropyrazin-2-yl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 102990114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).