4-[4-chloro-2-(2-morpholin-4-yl-4-pyridinyl)phenoxy]-3-cyano-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide

C24H19ClN6O4S2 — CID 71716268

About 4-[4-chloro-2-(2-morpholin-4-yl-4-pyridinyl)phenoxy]-3-cyano-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide

4-[4-chloro-2-(2-morpholin-4-yl-4-pyridinyl)phenoxy]-3-cyano-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 71716268) has the molecular formula C24H19ClN6O4S2 and a molecular weight of 555.04 g/mol. Its IUPAC name is 4-[4-chloro-2-(2-morpholin-4-yl-4-pyridinyl)phenoxy]-3-cyano-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: 4-[4-chloro-2-(2-morpholin-4-yl-4-pyridinyl)phenoxy]-3-cyano-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
• PubChem CID: 71716268
• Molecular Formula: C24H19ClN6O4S2
• Molecular Weight: 555.04 g/mol
• Exact Mass: 554.06
• IUPAC Name: 4-[4-chloro-2-(2-morpholin-4-yl-4-pyridinyl)phenoxy]-3-cyano-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
• SMILES: N#Cc1cc(S(=O)(=O)Nc2nncs2)ccc1Oc1ccc(Cl)cc1-c1ccnc(N2CCOCC2)c1
• InChI: InChI=1S/C24H19ClN6O4S2/c25-18-1-3-22(20(13-18)16-5-6-27-23(12-16)31-7-9-34-10-8-31)35-21-4-2-19(11-17(21)14-26)37(32,33)30-24-29-28-15-36-24/h1-6,11-13,15H,7-10H2,(H,29,30)
• InChIKey: VXJZZSIKLPNKHB-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 130.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.04
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-2-(2-morpholin-4-yl-4-pyridinyl)phenoxy]-3-cyano-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?

The IUPAC name of 4-[4-chloro-2-(2-morpholin-4-yl-4-pyridinyl)phenoxy]-3-cyano-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 71716268) is 4-[4-chloro-2-(2-morpholin-4-yl-4-pyridinyl)phenoxy]-3-cyano-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide.

What is the SMILES notation for 4-[4-chloro-2-(2-morpholin-4-yl-4-pyridinyl)phenoxy]-3-cyano-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?

The canonical SMILES for 4-[4-chloro-2-(2-morpholin-4-yl-4-pyridinyl)phenoxy]-3-cyano-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is N#Cc1cc(S(=O)(=O)Nc2nncs2)ccc1Oc1ccc(Cl)cc1-c1ccnc(N2CCOCC2)c1.

What is the InChIKey of 4-[4-chloro-2-(2-morpholin-4-yl-4-pyridinyl)phenoxy]-3-cyano-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?

The InChIKey is VXJZZSIKLPNKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN6O4S2/c25-18-1-3-22(20(13-18)16-5-6-27-23(12-16)31-7-9-34-10-8-31)35-21-4-2-19(11-17(21)14-26)37(32,33)30-24-29-28-15-36-24/h1-6,11-13,15H,7-10H2,(H,29,30).

What are the key properties of 4-[4-chloro-2-(2-morpholin-4-yl-4-pyridinyl)phenoxy]-3-cyano-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide?

4-[4-chloro-2-(2-morpholin-4-yl-4-pyridinyl)phenoxy]-3-cyano-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 555.04 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-chloro-2-(2-morpholin-4-yl-4-pyridinyl)phenoxy]-3-cyano-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 71716268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).