3,4-dichloro-N-[(1R)-1-[5-[4-(dimethylamino)phenoxy]-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide

C20H23Cl2N5O3S — CID 58499711

About 3,4-dichloro-N-[(1R)-1-[5-[4-(dimethylamino)phenoxy]-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide

3,4-dichloro-N-[(1R)-1-[5-[4-(dimethylamino)phenoxy]-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide (PubChem CID 58499711) has the molecular formula C20H23Cl2N5O3S and a molecular weight of 484.41 g/mol. Its IUPAC name is 3,4-dichloro-N-[(1R)-1-[5-[4-(dimethylamino)phenoxy]-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 3,4-dichloro-N-[(1R)-1-[5-[4-(dimethylamino)phenoxy]-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide
• PubChem CID: 58499711
• Molecular Formula: C20H23Cl2N5O3S
• Molecular Weight: 484.41 g/mol
• Exact Mass: 483.09
• IUPAC Name: 3,4-dichloro-N-[(1R)-1-[5-[4-(dimethylamino)phenoxy]-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide
• SMILES: CCn1c(Oc2ccc(N(C)C)cc2)nnc1[C@@H](C)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
• InChI: InChI=1S/C20H23Cl2N5O3S/c1-5-27-19(13(2)25-31(28,29)16-10-11-17(21)18(22)12-16)23-24-20(27)30-15-8-6-14(7-9-15)26(3)4/h6-13,25H,5H2,1-4H3/t13-/m1/s1
• InChIKey: SCLQGMHJYLFOPG-CYBMUJFWSA-N
• XLogP: 4.50
• TPSA: 89.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.41
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(1R)-1-[5-[4-(dimethylamino)phenoxy]-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide?

The IUPAC name of 3,4-dichloro-N-[(1R)-1-[5-[4-(dimethylamino)phenoxy]-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide (CID 58499711) is 3,4-dichloro-N-[(1R)-1-[5-[4-(dimethylamino)phenoxy]-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide.

What is the SMILES notation for 3,4-dichloro-N-[(1R)-1-[5-[4-(dimethylamino)phenoxy]-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide?

The canonical SMILES for 3,4-dichloro-N-[(1R)-1-[5-[4-(dimethylamino)phenoxy]-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide is CCn1c(Oc2ccc(N(C)C)cc2)nnc1[C@@H](C)NS(=O)(=O)c1ccc(Cl)c(Cl)c1.

What is the InChIKey of 3,4-dichloro-N-[(1R)-1-[5-[4-(dimethylamino)phenoxy]-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide?

The InChIKey is SCLQGMHJYLFOPG-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H23Cl2N5O3S/c1-5-27-19(13(2)25-31(28,29)16-10-11-17(21)18(22)12-16)23-24-20(27)30-15-8-6-14(7-9-15)26(3)4/h6-13,25H,5H2,1-4H3/t13-/m1/s1.

What are the key properties of 3,4-dichloro-N-[(1R)-1-[5-[4-(dimethylamino)phenoxy]-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide?

3,4-dichloro-N-[(1R)-1-[5-[4-(dimethylamino)phenoxy]-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide has a molecular weight of 484.41 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dichloro-N-[(1R)-1-[5-[4-(dimethylamino)phenoxy]-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 58499711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).