1-(2-pyridin-3-ylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide

C21H19N5O2S2 — CID 140609660

IUPAC1-(2-pyridin-3-ylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ncns1)c1ccc2ccccc2c1N1CCCC1c1cccnc1
InChIInChI=1S/C21H19N5O2S2/c27-30(28,25-21-23-14-24-29-21)19-10-9-15-5-1-2-7-17(15)20(19)26-12-4-8-18(26)16-6-3-11-22-13-16/h1-3,5-7,9-11,13-14,18H,4,8,12H2,(H,23,24,25)
InChIKeyXGISRPFRZJRCRH-UHFFFAOYSA-N
MW437.55 g/mol
LogP4.23
Rot. Bonds5

About 1-(2-pyridin-3-ylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide

1-(2-pyridin-3-ylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide (PubChem CID 140609660) has the molecular formula C21H19N5O2S2 and a molecular weight of 437.55 g/mol. Its IUPAC name is 1-(2-pyridin-3-ylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide.

Molecular Properties

Compound Name1-(2-pyridin-3-ylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide
PubChem CID140609660
Molecular FormulaC21H19N5O2S2
Molecular Weight437.55 g/mol
Exact Mass437.10
IUPAC Name1-(2-pyridin-3-ylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ncns1)c1ccc2ccccc2c1N1CCCC1c1cccnc1
InChIInChI=1S/C21H19N5O2S2/c27-30(28,25-21-23-14-24-29-21)19-10-9-15-5-1-2-7-17(15)20(19)26-12-4-8-18(26)16-6-3-11-22-13-16/h1-3,5-7,9-11,13-14,18H,4,8,12H2,(H,23,24,25)
InChIKeyXGISRPFRZJRCRH-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 1-(2-pyridin-3-ylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide?
The IUPAC name of 1-(2-pyridin-3-ylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide (CID 140609660) is 1-(2-pyridin-3-ylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide.
What is the SMILES notation for 1-(2-pyridin-3-ylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide?
The canonical SMILES for 1-(2-pyridin-3-ylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide is O=S(=O)(Nc1ncns1)c1ccc2ccccc2c1N1CCCC1c1cccnc1.
What is the InChIKey of 1-(2-pyridin-3-ylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide?
The InChIKey is XGISRPFRZJRCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2S2/c27-30(28,25-21-23-14-24-29-21)19-10-9-15-5-1-2-7-17(15)20(19)26-12-4-8-18(26)16-6-3-11-22-13-16/h1-3,5-7,9-11,13-14,18H,4,8,12H2,(H,23,24,25).
What are the key properties of 1-(2-pyridin-3-ylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide?
1-(2-pyridin-3-ylpyrrolidin-1-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 1-(2-pyridin-3-ylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide is sourced from PubChem (CID 140609660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).