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

C18H14BrFN4O2S2 — CID 46286400

IUPAC5-bromo-N-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCn1c(-c2ccc(F)cc2)nc2cccnc21)c1ccc(Br)s1
InChIInChI=1S/C18H14BrFN4O2S2/c19-15-7-8-16(27-15)28(25,26)22-10-11-24-17(12-3-5-13(20)6-4-12)23-14-2-1-9-21-18(14)24/h1-9,22H,10-11H2
InChIKeyZSNSNVATCKCNGO-UHFFFAOYSA-N
MW481.37 g/mol
LogP4.04
Rot. Bonds6

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

5-bromo-N-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]thiophene-2-sulfonamide (PubChem CID 46286400) has the molecular formula C18H14BrFN4O2S2 and a molecular weight of 481.37 g/mol. Its IUPAC name is 5-bromo-N-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]thiophene-2-sulfonamide
PubChem CID46286400
Molecular FormulaC18H14BrFN4O2S2
Molecular Weight481.37 g/mol
Exact Mass479.97
IUPAC Name5-bromo-N-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCn1c(-c2ccc(F)cc2)nc2cccnc21)c1ccc(Br)s1
InChIInChI=1S/C18H14BrFN4O2S2/c19-15-7-8-16(27-15)28(25,26)22-10-11-24-17(12-3-5-13(20)6-4-12)23-14-2-1-9-21-18(14)24/h1-9,22H,10-11H2
InChIKeyZSNSNVATCKCNGO-UHFFFAOYSA-N
XLogP4.04
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.37
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]thiophene-2-sulfonamide (CID 46286400) is 5-bromo-N-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]thiophene-2-sulfonamide is O=S(=O)(NCCn1c(-c2ccc(F)cc2)nc2cccnc21)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]thiophene-2-sulfonamide?
The InChIKey is ZSNSNVATCKCNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrFN4O2S2/c19-15-7-8-16(27-15)28(25,26)22-10-11-24-17(12-3-5-13(20)6-4-12)23-14-2-1-9-21-18(14)24/h1-9,22H,10-11H2.
What are the key properties of 5-bromo-N-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]thiophene-2-sulfonamide?
5-bromo-N-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]thiophene-2-sulfonamide has a molecular weight of 481.37 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 46286400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).