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

C21H19N5O2S2 — CID 71586419

IUPAC5-(2-pyridin-3-ylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ncns1)c1ccc2c(N3CCCC3c3cccnc3)cccc2c1
InChIInChI=1S/C21H19N5O2S2/c27-30(28,25-21-23-14-24-29-21)17-8-9-18-15(12-17)4-1-6-20(18)26-11-3-7-19(26)16-5-2-10-22-13-16/h1-2,4-6,8-10,12-14,19H,3,7,11H2,(H,23,24,25)
InChIKeyVYGVPSWYPYWPBU-UHFFFAOYSA-N
MW437.55 g/mol
LogP4.23
Rot. Bonds5

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

5-(2-pyridin-3-ylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide (PubChem CID 71586419) has the molecular formula C21H19N5O2S2 and a molecular weight of 437.55 g/mol. Its IUPAC name is 5-(2-pyridin-3-ylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-pyridin-3-ylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide
PubChem CID71586419
Molecular FormulaC21H19N5O2S2
Molecular Weight437.55 g/mol
Exact Mass437.10
IUPAC Name5-(2-pyridin-3-ylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ncns1)c1ccc2c(N3CCCC3c3cccnc3)cccc2c1
InChIInChI=1S/C21H19N5O2S2/c27-30(28,25-21-23-14-24-29-21)17-8-9-18-15(12-17)4-1-6-20(18)26-11-3-7-19(26)16-5-2-10-22-13-16/h1-2,4-6,8-10,12-14,19H,3,7,11H2,(H,23,24,25)
InChIKeyVYGVPSWYPYWPBU-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-(2-pyridin-3-ylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide?
The IUPAC name of 5-(2-pyridin-3-ylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide (CID 71586419) is 5-(2-pyridin-3-ylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide.
What is the SMILES notation for 5-(2-pyridin-3-ylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide?
The canonical SMILES for 5-(2-pyridin-3-ylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide is O=S(=O)(Nc1ncns1)c1ccc2c(N3CCCC3c3cccnc3)cccc2c1.
What is the InChIKey of 5-(2-pyridin-3-ylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide?
The InChIKey is VYGVPSWYPYWPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2S2/c27-30(28,25-21-23-14-24-29-21)17-8-9-18-15(12-17)4-1-6-20(18)26-11-3-7-19(26)16-5-2-10-22-13-16/h1-2,4-6,8-10,12-14,19H,3,7,11H2,(H,23,24,25).
What are the key properties of 5-(2-pyridin-3-ylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide?
5-(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 5-(2-pyridin-3-ylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide is sourced from PubChem (CID 71586419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).