4-(2-amino-4-phenylpyrimidin-5-yl)oxy-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

C19H13N7O3S2 — CID 71717560

IUPAC4-(2-amino-4-phenylpyrimidin-5-yl)oxy-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1cnc(N)nc1-c1ccccc1
InChIInChI=1S/C19H13N7O3S2/c20-9-13-8-14(31(27,28)26-19-23-11-24-30-19)6-7-15(13)29-16-10-22-18(21)25-17(16)12-4-2-1-3-5-12/h1-8,10-11H,(H2,21,22,25)(H,23,24,26)
InChIKeyXICOFFGZNOWLHN-UHFFFAOYSA-N
MW451.49 g/mol
LogP3.04
Rot. Bonds6

About 4-(2-amino-4-phenylpyrimidin-5-yl)oxy-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

4-(2-amino-4-phenylpyrimidin-5-yl)oxy-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (PubChem CID 71717560) has the molecular formula C19H13N7O3S2 and a molecular weight of 451.49 g/mol. Its IUPAC name is 4-(2-amino-4-phenylpyrimidin-5-yl)oxy-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-amino-4-phenylpyrimidin-5-yl)oxy-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
PubChem CID71717560
Molecular FormulaC19H13N7O3S2
Molecular Weight451.49 g/mol
Exact Mass451.05
IUPAC Name4-(2-amino-4-phenylpyrimidin-5-yl)oxy-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1cnc(N)nc1-c1ccccc1
InChIInChI=1S/C19H13N7O3S2/c20-9-13-8-14(31(27,28)26-19-23-11-24-30-19)6-7-15(13)29-16-10-22-18(21)25-17(16)12-4-2-1-3-5-12/h1-8,10-11H,(H2,21,22,25)(H,23,24,26)
InChIKeyXICOFFGZNOWLHN-UHFFFAOYSA-N
XLogP3.04
TPSA156.77 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-phenylpyrimidin-5-yl)oxy-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-(2-amino-4-phenylpyrimidin-5-yl)oxy-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (CID 71717560) is 4-(2-amino-4-phenylpyrimidin-5-yl)oxy-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2-amino-4-phenylpyrimidin-5-yl)oxy-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-(2-amino-4-phenylpyrimidin-5-yl)oxy-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1cnc(N)nc1-c1ccccc1.
What is the InChIKey of 4-(2-amino-4-phenylpyrimidin-5-yl)oxy-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is XICOFFGZNOWLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N7O3S2/c20-9-13-8-14(31(27,28)26-19-23-11-24-30-19)6-7-15(13)29-16-10-22-18(21)25-17(16)12-4-2-1-3-5-12/h1-8,10-11H,(H2,21,22,25)(H,23,24,26).
What are the key properties of 4-(2-amino-4-phenylpyrimidin-5-yl)oxy-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
4-(2-amino-4-phenylpyrimidin-5-yl)oxy-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide has a molecular weight of 451.49 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-phenylpyrimidin-5-yl)oxy-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 71717560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).