4-fluoro-N-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide

C17H15F4N3O2S — CID 7150791

IUPAC4-fluoro-N-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccn2cc(CCNS(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)nc2c1
InChIInChI=1S/C17H15F4N3O2S/c1-11-5-7-24-10-12(23-16(24)8-11)4-6-22-27(25,26)13-2-3-15(18)14(9-13)17(19,20)21/h2-3,5,7-10,22H,4,6H2,1H3
InChIKeyKWCCNVLHLXNSOG-UHFFFAOYSA-N
MW401.39 g/mol
LogP3.32
Rot. Bonds5

About 4-fluoro-N-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide

4-fluoro-N-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 7150791) has the molecular formula C17H15F4N3O2S and a molecular weight of 401.39 g/mol. Its IUPAC name is 4-fluoro-N-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID7150791
Molecular FormulaC17H15F4N3O2S
Molecular Weight401.39 g/mol
Exact Mass401.08
IUPAC Name4-fluoro-N-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccn2cc(CCNS(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)nc2c1
InChIInChI=1S/C17H15F4N3O2S/c1-11-5-7-24-10-12(23-16(24)8-11)4-6-22-27(25,26)13-2-3-15(18)14(9-13)17(19,20)21/h2-3,5,7-10,22H,4,6H2,1H3
InChIKeyKWCCNVLHLXNSOG-UHFFFAOYSA-N
XLogP3.32
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide (CID 7150791) is 4-fluoro-N-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide is Cc1ccn2cc(CCNS(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)nc2c1.
What is the InChIKey of 4-fluoro-N-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is KWCCNVLHLXNSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4N3O2S/c1-11-5-7-24-10-12(23-16(24)8-11)4-6-22-27(25,26)13-2-3-15(18)14(9-13)17(19,20)21/h2-3,5,7-10,22H,4,6H2,1H3.
What are the key properties of 4-fluoro-N-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide?
4-fluoro-N-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 401.39 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 7150791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).