5-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide

C22H16ClN5O2S2 — CID 86687351

IUPAC5-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide
SMILESCn1nccc1-c1cc(Cl)ccc1-c1cccc2cc(S(=O)(=O)Nc3ncns3)ccc12
InChIInChI=1S/C22H16ClN5O2S2/c1-28-21(9-10-25-28)20-12-15(23)5-7-19(20)18-4-2-3-14-11-16(6-8-17(14)18)32(29,30)27-22-24-13-26-31-22/h2-13H,1H3,(H,24,26,27)
InChIKeyRDHMFRCHYGEPET-UHFFFAOYSA-N
MW481.99 g/mol
LogP5.21
Rot. Bonds5

About 5-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide

5-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide (PubChem CID 86687351) has the molecular formula C22H16ClN5O2S2 and a molecular weight of 481.99 g/mol. Its IUPAC name is 5-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide.

Molecular Properties

Compound Name5-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide
PubChem CID86687351
Molecular FormulaC22H16ClN5O2S2
Molecular Weight481.99 g/mol
Exact Mass481.04
IUPAC Name5-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide
SMILESCn1nccc1-c1cc(Cl)ccc1-c1cccc2cc(S(=O)(=O)Nc3ncns3)ccc12
InChIInChI=1S/C22H16ClN5O2S2/c1-28-21(9-10-25-28)20-12-15(23)5-7-19(20)18-4-2-3-14-11-16(6-8-17(14)18)32(29,30)27-22-24-13-26-31-22/h2-13H,1H3,(H,24,26,27)
InChIKeyRDHMFRCHYGEPET-UHFFFAOYSA-N
XLogP5.21
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.99
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide?
The IUPAC name of 5-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide (CID 86687351) is 5-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide.
What is the SMILES notation for 5-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide?
The canonical SMILES for 5-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide is Cn1nccc1-c1cc(Cl)ccc1-c1cccc2cc(S(=O)(=O)Nc3ncns3)ccc12.
What is the InChIKey of 5-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide?
The InChIKey is RDHMFRCHYGEPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN5O2S2/c1-28-21(9-10-25-28)20-12-15(23)5-7-19(20)18-4-2-3-14-11-16(6-8-17(14)18)32(29,30)27-22-24-13-26-31-22/h2-13H,1H3,(H,24,26,27).
What are the key properties of 5-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide?
5-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide has a molecular weight of 481.99 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-chloro-2-(2-methylpyrazol-3-yl)phenyl]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide is sourced from PubChem (CID 86687351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).