5-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide

C24H15F3N4O2S2 — CID 71585736

IUPAC5-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(C(F)(F)F)cc3-c3ccncc3)cccc2c1
InChIInChI=1S/C24H15F3N4O2S2/c25-24(26,27)17-4-6-21(22(13-17)15-8-10-28-11-9-15)20-3-1-2-16-12-18(5-7-19(16)20)35(32,33)31-23-29-14-30-34-23/h1-14H,(H,29,30,31)
InChIKeySMOITNGFALEXMK-UHFFFAOYSA-N
MW512.54 g/mol
LogP6.24
Rot. Bonds5

About 5-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide

5-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide (PubChem CID 71585736) has the molecular formula C24H15F3N4O2S2 and a molecular weight of 512.54 g/mol. Its IUPAC name is 5-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide.

Molecular Properties

Compound Name5-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide
PubChem CID71585736
Molecular FormulaC24H15F3N4O2S2
Molecular Weight512.54 g/mol
Exact Mass512.06
IUPAC Name5-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(C(F)(F)F)cc3-c3ccncc3)cccc2c1
InChIInChI=1S/C24H15F3N4O2S2/c25-24(26,27)17-4-6-21(22(13-17)15-8-10-28-11-9-15)20-3-1-2-16-12-18(5-7-19(16)20)35(32,33)31-23-29-14-30-34-23/h1-14H,(H,29,30,31)
InChIKeySMOITNGFALEXMK-UHFFFAOYSA-N
XLogP6.24
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.54
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide?
The IUPAC name of 5-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide (CID 71585736) is 5-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide.
What is the SMILES notation for 5-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide?
The canonical SMILES for 5-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide is O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(C(F)(F)F)cc3-c3ccncc3)cccc2c1.
What is the InChIKey of 5-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide?
The InChIKey is SMOITNGFALEXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N4O2S2/c25-24(26,27)17-4-6-21(22(13-17)15-8-10-28-11-9-15)20-3-1-2-16-12-18(5-7-19(16)20)35(32,33)31-23-29-14-30-34-23/h1-14H,(H,29,30,31).
What are the key properties of 5-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide?
5-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide has a molecular weight of 512.54 g/mol, XLogP of 6.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]-N-(1,2,4-thiadiazol-5-yl)naphthalene-2-sulfonamide is sourced from PubChem (CID 71585736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).