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

C23H15ClN4O2S2 — CID 86687352

IUPAC5-(4-chloro-2-pyridin-4-ylphenyl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(Cl)cc3-c3ccncc3)cccc2c1
InChIInChI=1S/C23H15ClN4O2S2/c24-17-4-6-21(22(13-17)15-8-10-25-11-9-15)20-3-1-2-16-12-18(5-7-19(16)20)32(29,30)28-23-26-14-27-31-23/h1-14H,(H,26,27,28)
InChIKeyRLFNGRGSDXFYJJ-UHFFFAOYSA-N
MW478.99 g/mol
LogP5.87
Rot. Bonds5

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

5-(4-chloro-2-pyridin-4-ylphenyl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide (PubChem CID 86687352) has the molecular formula C23H15ClN4O2S2 and a molecular weight of 478.99 g/mol. Its IUPAC name is 5-(4-chloro-2-pyridin-4-ylphenyl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide.

Molecular Properties

Compound Name5-(4-chloro-2-pyridin-4-ylphenyl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide
PubChem CID86687352
Molecular FormulaC23H15ClN4O2S2
Molecular Weight478.99 g/mol
Exact Mass478.03
IUPAC Name5-(4-chloro-2-pyridin-4-ylphenyl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(Cl)cc3-c3ccncc3)cccc2c1
InChIInChI=1S/C23H15ClN4O2S2/c24-17-4-6-21(22(13-17)15-8-10-25-11-9-15)20-3-1-2-16-12-18(5-7-19(16)20)32(29,30)28-23-26-14-27-31-23/h1-14H,(H,26,27,28)
InChIKeyRLFNGRGSDXFYJJ-UHFFFAOYSA-N
XLogP5.87
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.99
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-pyridin-4-ylphenyl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide?
The IUPAC name of 5-(4-chloro-2-pyridin-4-ylphenyl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide (CID 86687352) is 5-(4-chloro-2-pyridin-4-ylphenyl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide.
What is the SMILES notation for 5-(4-chloro-2-pyridin-4-ylphenyl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide?
The canonical SMILES for 5-(4-chloro-2-pyridin-4-ylphenyl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide is O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(Cl)cc3-c3ccncc3)cccc2c1.
What is the InChIKey of 5-(4-chloro-2-pyridin-4-ylphenyl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide?
The InChIKey is RLFNGRGSDXFYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN4O2S2/c24-17-4-6-21(22(13-17)15-8-10-25-11-9-15)20-3-1-2-16-12-18(5-7-19(16)20)32(29,30)28-23-26-14-27-31-23/h1-14H,(H,26,27,28).
What are the key properties of 5-(4-chloro-2-pyridin-4-ylphenyl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide?
5-(4-chloro-2-pyridin-4-ylphenyl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide has a molecular weight of 478.99 g/mol, XLogP of 5.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-pyridin-4-ylphenyl)-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide is sourced from PubChem (CID 86687352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).