5-(1-pyridin-2-ylpyrrolidin-2-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide

C21H19N5O2S2 — CID 71586513

IUPAC5-(1-pyridin-2-ylpyrrolidin-2-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ncns1)c1ccc2c(C3CCCN3c3ccccn3)cccc2c1
InChIInChI=1S/C21H19N5O2S2/c27-30(28,25-21-23-14-24-29-21)16-9-10-17-15(13-16)5-3-6-18(17)19-7-4-12-26(19)20-8-1-2-11-22-20/h1-3,5-6,8-11,13-14,19H,4,7,12H2,(H,23,24,25)
InChIKeyNXQYMXOJCSEXIT-UHFFFAOYSA-N
MW437.55 g/mol
LogP4.23
Rot. Bonds5

About 5-(1-pyridin-2-ylpyrrolidin-2-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide

5-(1-pyridin-2-ylpyrrolidin-2-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide (PubChem CID 71586513) has the molecular formula C21H19N5O2S2 and a molecular weight of 437.55 g/mol. Its IUPAC name is 5-(1-pyridin-2-ylpyrrolidin-2-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide.

Molecular Properties

Compound Name5-(1-pyridin-2-ylpyrrolidin-2-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide
PubChem CID71586513
Molecular FormulaC21H19N5O2S2
Molecular Weight437.55 g/mol
Exact Mass437.10
IUPAC Name5-(1-pyridin-2-ylpyrrolidin-2-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ncns1)c1ccc2c(C3CCCN3c3ccccn3)cccc2c1
InChIInChI=1S/C21H19N5O2S2/c27-30(28,25-21-23-14-24-29-21)16-9-10-17-15(13-16)5-3-6-18(17)19-7-4-12-26(19)20-8-1-2-11-22-20/h1-3,5-6,8-11,13-14,19H,4,7,12H2,(H,23,24,25)
InChIKeyNXQYMXOJCSEXIT-UHFFFAOYSA-N
XLogP4.23
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1-pyridin-2-ylpyrrolidin-2-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide?
The IUPAC name of 5-(1-pyridin-2-ylpyrrolidin-2-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide (CID 71586513) is 5-(1-pyridin-2-ylpyrrolidin-2-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide.
What is the SMILES notation for 5-(1-pyridin-2-ylpyrrolidin-2-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide?
The canonical SMILES for 5-(1-pyridin-2-ylpyrrolidin-2-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide is O=S(=O)(Nc1ncns1)c1ccc2c(C3CCCN3c3ccccn3)cccc2c1.
What is the InChIKey of 5-(1-pyridin-2-ylpyrrolidin-2-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide?
The InChIKey is NXQYMXOJCSEXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2S2/c27-30(28,25-21-23-14-24-29-21)16-9-10-17-15(13-16)5-3-6-18(17)19-7-4-12-26(19)20-8-1-2-11-22-20/h1-3,5-6,8-11,13-14,19H,4,7,12H2,(H,23,24,25).
What are the key properties of 5-(1-pyridin-2-ylpyrrolidin-2-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide?
5-(1-pyridin-2-ylpyrrolidin-2-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide has a molecular weight of 437.55 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-pyridin-2-ylpyrrolidin-2-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide is sourced from PubChem (CID 71586513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).