N-[2-(3-bromoimidazo[1,2-a]pyridin-5-yl)sulfanylethyl]naphthalene-1-sulfonamide

C19H16BrN3O2S2 — CID 67746020

IUPACN-[2-(3-bromoimidazo[1,2-a]pyridin-5-yl)sulfanylethyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(NCCSc1cccc2ncc(Br)n12)c1cccc2ccccc12
InChIInChI=1S/C19H16BrN3O2S2/c20-17-13-21-18-9-4-10-19(23(17)18)26-12-11-22-27(24,25)16-8-3-6-14-5-1-2-7-15(14)16/h1-10,13,22H,11-12H2
InChIKeyFEISSAMCVFKYOW-UHFFFAOYSA-N
MW462.39 g/mol
LogP4.32
Rot. Bonds6

About N-[2-(3-bromoimidazo[1,2-a]pyridin-5-yl)sulfanylethyl]naphthalene-1-sulfonamide

N-[2-(3-bromoimidazo[1,2-a]pyridin-5-yl)sulfanylethyl]naphthalene-1-sulfonamide (PubChem CID 67746020) has the molecular formula C19H16BrN3O2S2 and a molecular weight of 462.39 g/mol. Its IUPAC name is N-[2-(3-bromoimidazo[1,2-a]pyridin-5-yl)sulfanylethyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-bromoimidazo[1,2-a]pyridin-5-yl)sulfanylethyl]naphthalene-1-sulfonamide
PubChem CID67746020
Molecular FormulaC19H16BrN3O2S2
Molecular Weight462.39 g/mol
Exact Mass460.99
IUPAC NameN-[2-(3-bromoimidazo[1,2-a]pyridin-5-yl)sulfanylethyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(NCCSc1cccc2ncc(Br)n12)c1cccc2ccccc12
InChIInChI=1S/C19H16BrN3O2S2/c20-17-13-21-18-9-4-10-19(23(17)18)26-12-11-22-27(24,25)16-8-3-6-14-5-1-2-7-15(14)16/h1-10,13,22H,11-12H2
InChIKeyFEISSAMCVFKYOW-UHFFFAOYSA-N
XLogP4.32
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.39
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromoimidazo[1,2-a]pyridin-5-yl)sulfanylethyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[2-(3-bromoimidazo[1,2-a]pyridin-5-yl)sulfanylethyl]naphthalene-1-sulfonamide (CID 67746020) is N-[2-(3-bromoimidazo[1,2-a]pyridin-5-yl)sulfanylethyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[2-(3-bromoimidazo[1,2-a]pyridin-5-yl)sulfanylethyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[2-(3-bromoimidazo[1,2-a]pyridin-5-yl)sulfanylethyl]naphthalene-1-sulfonamide is O=S(=O)(NCCSc1cccc2ncc(Br)n12)c1cccc2ccccc12.
What is the InChIKey of N-[2-(3-bromoimidazo[1,2-a]pyridin-5-yl)sulfanylethyl]naphthalene-1-sulfonamide?
The InChIKey is FEISSAMCVFKYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O2S2/c20-17-13-21-18-9-4-10-19(23(17)18)26-12-11-22-27(24,25)16-8-3-6-14-5-1-2-7-15(14)16/h1-10,13,22H,11-12H2.
What are the key properties of N-[2-(3-bromoimidazo[1,2-a]pyridin-5-yl)sulfanylethyl]naphthalene-1-sulfonamide?
N-[2-(3-bromoimidazo[1,2-a]pyridin-5-yl)sulfanylethyl]naphthalene-1-sulfonamide has a molecular weight of 462.39 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromoimidazo[1,2-a]pyridin-5-yl)sulfanylethyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 67746020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).