N-(5-chloro-3-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]propane-1-sulfonamide

C15H13ClF3N5O3S2 — CID 156526272

IUPACN-(5-chloro-3-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N(Cc1ncc(-c2nnc(C(F)(F)F)o2)s1)c1cncc(Cl)c1
InChIInChI=1S/C15H13ClF3N5O3S2/c1-2-3-29(25,26)24(10-4-9(16)5-20-6-10)8-12-21-7-11(28-12)13-22-23-14(27-13)15(17,18)19/h4-7H,2-3,8H2,1H3
InChIKeyDSIGETWVMAPHSV-UHFFFAOYSA-N
MW467.88 g/mol
LogP4.01
Rot. Bonds7

About N-(5-chloro-3-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]propane-1-sulfonamide

N-(5-chloro-3-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]propane-1-sulfonamide (PubChem CID 156526272) has the molecular formula C15H13ClF3N5O3S2 and a molecular weight of 467.88 g/mol. Its IUPAC name is N-(5-chloro-3-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-3-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]propane-1-sulfonamide
PubChem CID156526272
Molecular FormulaC15H13ClF3N5O3S2
Molecular Weight467.88 g/mol
Exact Mass467.01
IUPAC NameN-(5-chloro-3-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)N(Cc1ncc(-c2nnc(C(F)(F)F)o2)s1)c1cncc(Cl)c1
InChIInChI=1S/C15H13ClF3N5O3S2/c1-2-3-29(25,26)24(10-4-9(16)5-20-6-10)8-12-21-7-11(28-12)13-22-23-14(27-13)15(17,18)19/h4-7H,2-3,8H2,1H3
InChIKeyDSIGETWVMAPHSV-UHFFFAOYSA-N
XLogP4.01
TPSA102.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.88
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-3-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]propane-1-sulfonamide?
The IUPAC name of N-(5-chloro-3-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]propane-1-sulfonamide (CID 156526272) is N-(5-chloro-3-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]propane-1-sulfonamide.
What is the SMILES notation for N-(5-chloro-3-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]propane-1-sulfonamide?
The canonical SMILES for N-(5-chloro-3-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]propane-1-sulfonamide is CCCS(=O)(=O)N(Cc1ncc(-c2nnc(C(F)(F)F)o2)s1)c1cncc(Cl)c1.
What is the InChIKey of N-(5-chloro-3-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]propane-1-sulfonamide?
The InChIKey is DSIGETWVMAPHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N5O3S2/c1-2-3-29(25,26)24(10-4-9(16)5-20-6-10)8-12-21-7-11(28-12)13-22-23-14(27-13)15(17,18)19/h4-7H,2-3,8H2,1H3.
What are the key properties of N-(5-chloro-3-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]propane-1-sulfonamide?
N-(5-chloro-3-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]propane-1-sulfonamide has a molecular weight of 467.88 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-3-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]propane-1-sulfonamide is sourced from PubChem (CID 156526272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).