(2R)-2-(4-chloro-2-methylsulfonylphenyl)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-2-hydroxyethanesulfonamide;(2S)-2-(4-chloro-2-methylsulfonylphenyl)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-2-hydroxyethanesulfonamide

C50H52Cl2N10O14S4 — CID 146401594

About (2R)-2-(4-chloro-2-methylsulfonylphenyl)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-2-hydroxyethanesulfonamide;(2S)-2-(4-chloro-2-methylsulfonylphenyl)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-2-hydroxyethanesulfonamide

(2R)-2-(4-chloro-2-methylsulfonylphenyl)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-2-hydroxyethanesulfonamide;(2S)-2-(4-chloro-2-methylsulfonylphenyl)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-2-hydroxyethanesulfonamide (PubChem CID 146401594) has the molecular formula C50H52Cl2N10O14S4 and a molecular weight of 1216.20 g/mol. Its IUPAC name is (2R)-2-(4-chloro-2-methylsulfonylphenyl)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-2-hydroxyethanesulfonamide;(2S)-2-(4-chloro-2-methylsulfonylphenyl)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-2-hydroxyethanesulfonamide.

Molecular Properties

• Compound Name: (2R)-2-(4-chloro-2-methylsulfonylphenyl)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-2-hydroxyethanesulfonamide;(2S)-2-(4-chloro-2-methylsulfonylphenyl)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-2-hydroxyethanesulfonamide
• PubChem CID: 146401594
• Molecular Formula: C50H52Cl2N10O14S4
• Molecular Weight: 1216.20 g/mol
• Exact Mass: 1214.19
• IUPAC Name: (2R)-2-(4-chloro-2-methylsulfonylphenyl)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-2-hydroxyethanesulfonamide;(2S)-2-(4-chloro-2-methylsulfonylphenyl)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-2-hydroxyethanesulfonamide
• SMILES: COc1cccc(OC)c1-n1c(NS(=O)(=O)C[C@@H](O)c2ccc(Cl)cc2S(C)(=O)=O)nnc1-c1cncc(C)c1.COc1cccc(OC)c1-n1c(NS(=O)(=O)C[C@H](O)c2ccc(Cl)cc2S(C)(=O)=O)nnc1-c1cncc(C)c1
• InChI: InChI=1S/2C25H26ClN5O7S2/c2*1-15-10-16(13-27-12-15)24-28-29-25(31(24)23-20(37-2)6-5-7-21(23)38-3)30-40(35,36)14-19(32)18-9-8-17(26)11-22(18)39(4,33)34/h2*5-13,19,32H,14H2,1-4H3,(H,29,30)/t2*19-/m10/s1
• InChIKey: YAJRGSSNFURYRR-OYPHMNEHSA-N
• XLogP: 6.37
• TPSA: 325.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 20
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1216.20
LogP ≤ 5	6.37
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-2-methylsulfonylphenyl)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-2-hydroxyethanesulfonamide;(2S)-2-(4-chloro-2-methylsulfonylphenyl)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-2-hydroxyethanesulfonamide?

The IUPAC name of (2R)-2-(4-chloro-2-methylsulfonylphenyl)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-2-hydroxyethanesulfonamide;(2S)-2-(4-chloro-2-methylsulfonylphenyl)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-2-hydroxyethanesulfonamide (CID 146401594) is (2R)-2-(4-chloro-2-methylsulfonylphenyl)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-2-hydroxyethanesulfonamide;(2S)-2-(4-chloro-2-methylsulfonylphenyl)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-2-hydroxyethanesulfonamide.

What is the SMILES notation for (2R)-2-(4-chloro-2-methylsulfonylphenyl)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-2-hydroxyethanesulfonamide;(2S)-2-(4-chloro-2-methylsulfonylphenyl)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-2-hydroxyethanesulfonamide?

The canonical SMILES for (2R)-2-(4-chloro-2-methylsulfonylphenyl)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-2-hydroxyethanesulfonamide;(2S)-2-(4-chloro-2-methylsulfonylphenyl)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-2-hydroxyethanesulfonamide is COc1cccc(OC)c1-n1c(NS(=O)(=O)C[C@@H](O)c2ccc(Cl)cc2S(C)(=O)=O)nnc1-c1cncc(C)c1.COc1cccc(OC)c1-n1c(NS(=O)(=O)C[C@H](O)c2ccc(Cl)cc2S(C)(=O)=O)nnc1-c1cncc(C)c1.

What is the InChIKey of (2R)-2-(4-chloro-2-methylsulfonylphenyl)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-2-hydroxyethanesulfonamide;(2S)-2-(4-chloro-2-methylsulfonylphenyl)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-2-hydroxyethanesulfonamide?

The InChIKey is YAJRGSSNFURYRR-OYPHMNEHSA-N. The full InChI is InChI=1S/2C25H26ClN5O7S2/c2*1-15-10-16(13-27-12-15)24-28-29-25(31(24)23-20(37-2)6-5-7-21(23)38-3)30-40(35,36)14-19(32)18-9-8-17(26)11-22(18)39(4,33)34/h2*5-13,19,32H,14H2,1-4H3,(H,29,30)/t2*19-/m10/s1.

What are the key properties of (2R)-2-(4-chloro-2-methylsulfonylphenyl)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-2-hydroxyethanesulfonamide;(2S)-2-(4-chloro-2-methylsulfonylphenyl)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-2-hydroxyethanesulfonamide?

(2R)-2-(4-chloro-2-methylsulfonylphenyl)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-2-hydroxyethanesulfonamide;(2S)-2-(4-chloro-2-methylsulfonylphenyl)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-2-hydroxyethanesulfonamide has a molecular weight of 1216.20 g/mol, XLogP of 6.37, 20 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(4-chloro-2-methylsulfonylphenyl)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-2-hydroxyethanesulfonamide;(2S)-2-(4-chloro-2-methylsulfonylphenyl)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-2-hydroxyethanesulfonamide is sourced from PubChem (CID 146401594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).