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

C22H20N4O2S2 — CID 86687395

IUPAC5-(2-phenylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ncns1)c1ccc2c(N3CCCC3c3ccccc3)cccc2c1
InChIInChI=1S/C22H20N4O2S2/c27-30(28,25-22-23-15-24-29-22)18-11-12-19-17(14-18)8-4-9-21(19)26-13-5-10-20(26)16-6-2-1-3-7-16/h1-4,6-9,11-12,14-15,20H,5,10,13H2,(H,23,24,25)
InChIKeyCCMJMARLSKCXPA-UHFFFAOYSA-N
MW436.56 g/mol
LogP4.83
Rot. Bonds5

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

5-(2-phenylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide (PubChem CID 86687395) has the molecular formula C22H20N4O2S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 5-(2-phenylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-phenylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide
PubChem CID86687395
Molecular FormulaC22H20N4O2S2
Molecular Weight436.56 g/mol
Exact Mass436.10
IUPAC Name5-(2-phenylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ncns1)c1ccc2c(N3CCCC3c3ccccc3)cccc2c1
InChIInChI=1S/C22H20N4O2S2/c27-30(28,25-22-23-15-24-29-22)18-11-12-19-17(14-18)8-4-9-21(19)26-13-5-10-20(26)16-6-2-1-3-7-16/h1-4,6-9,11-12,14-15,20H,5,10,13H2,(H,23,24,25)
InChIKeyCCMJMARLSKCXPA-UHFFFAOYSA-N
XLogP4.83
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide?
The IUPAC name of 5-(2-phenylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide (CID 86687395) is 5-(2-phenylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide.
What is the SMILES notation for 5-(2-phenylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide?
The canonical SMILES for 5-(2-phenylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide is O=S(=O)(Nc1ncns1)c1ccc2c(N3CCCC3c3ccccc3)cccc2c1.
What is the InChIKey of 5-(2-phenylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide?
The InChIKey is CCMJMARLSKCXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S2/c27-30(28,25-22-23-15-24-29-22)18-11-12-19-17(14-18)8-4-9-21(19)26-13-5-10-20(26)16-6-2-1-3-7-16/h1-4,6-9,11-12,14-15,20H,5,10,13H2,(H,23,24,25).
What are the key properties of 5-(2-phenylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide?
5-(2-phenylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide has a molecular weight of 436.56 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylpyrrolidin-1-yl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide is sourced from PubChem (CID 86687395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).