N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide

C20H18F3N3O2S — CID 119106018

IUPACN-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1-c1cn2c(n1)CCCC2)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H18F3N3O2S/c21-20(22,23)15-8-2-4-10-18(15)29(27,28)25-16-9-3-1-7-14(16)17-13-26-12-6-5-11-19(26)24-17/h1-4,7-10,13,25H,5-6,11-12H2
InChIKeyWYOMZQPTEJUAAX-UHFFFAOYSA-N
MW421.44 g/mol
LogP4.71
Rot. Bonds4

About N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide

N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 119106018) has the molecular formula C20H18F3N3O2S and a molecular weight of 421.44 g/mol. Its IUPAC name is N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID119106018
Molecular FormulaC20H18F3N3O2S
Molecular Weight421.44 g/mol
Exact Mass421.11
IUPAC NameN-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1-c1cn2c(n1)CCCC2)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H18F3N3O2S/c21-20(22,23)15-8-2-4-10-18(15)29(27,28)25-16-9-3-1-7-14(16)17-13-26-12-6-5-11-19(26)24-17/h1-4,7-10,13,25H,5-6,11-12H2
InChIKeyWYOMZQPTEJUAAX-UHFFFAOYSA-N
XLogP4.71
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.44
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide (CID 119106018) is N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1ccccc1-c1cn2c(n1)CCCC2)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is WYOMZQPTEJUAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2S/c21-20(22,23)15-8-2-4-10-18(15)29(27,28)25-16-9-3-1-7-14(16)17-13-26-12-6-5-11-19(26)24-17/h1-4,7-10,13,25H,5-6,11-12H2.
What are the key properties of N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide?
N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 421.44 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 119106018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).