5-chloro-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]thiophene-2-sulfonamide

C13H10ClF3N4O2S2 — CID 46286443

IUPAC5-chloro-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCn1c(C(F)(F)F)nc2cccnc21)c1ccc(Cl)s1
InChIInChI=1S/C13H10ClF3N4O2S2/c14-9-3-4-10(24-9)25(22,23)19-6-7-21-11-8(2-1-5-18-11)20-12(21)13(15,16)17/h1-5,19H,6-7H2
InChIKeyJQLMBVWGOXJLEY-UHFFFAOYSA-N
MW410.83 g/mol
LogP3.14
Rot. Bonds5

About 5-chloro-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]thiophene-2-sulfonamide

5-chloro-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]thiophene-2-sulfonamide (PubChem CID 46286443) has the molecular formula C13H10ClF3N4O2S2 and a molecular weight of 410.83 g/mol. Its IUPAC name is 5-chloro-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]thiophene-2-sulfonamide
PubChem CID46286443
Molecular FormulaC13H10ClF3N4O2S2
Molecular Weight410.83 g/mol
Exact Mass409.99
IUPAC Name5-chloro-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCn1c(C(F)(F)F)nc2cccnc21)c1ccc(Cl)s1
InChIInChI=1S/C13H10ClF3N4O2S2/c14-9-3-4-10(24-9)25(22,23)19-6-7-21-11-8(2-1-5-18-11)20-12(21)13(15,16)17/h1-5,19H,6-7H2
InChIKeyJQLMBVWGOXJLEY-UHFFFAOYSA-N
XLogP3.14
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.83
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]thiophene-2-sulfonamide (CID 46286443) is 5-chloro-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]thiophene-2-sulfonamide is O=S(=O)(NCCn1c(C(F)(F)F)nc2cccnc21)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]thiophene-2-sulfonamide?
The InChIKey is JQLMBVWGOXJLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N4O2S2/c14-9-3-4-10(24-9)25(22,23)19-6-7-21-11-8(2-1-5-18-11)20-12(21)13(15,16)17/h1-5,19H,6-7H2.
What are the key properties of 5-chloro-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]thiophene-2-sulfonamide?
5-chloro-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]thiophene-2-sulfonamide has a molecular weight of 410.83 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 46286443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).