N-(3-chloro-4-fluorophenyl)-5-[5-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-5-[5-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide

C42H42Cl2F2N10O10S6 — CID 160825394

About N-(3-chloro-4-fluorophenyl)-5-[5-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-5-[5-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide

N-(3-chloro-4-fluorophenyl)-5-[5-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-5-[5-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide (PubChem CID 160825394) has the molecular formula C42H42Cl2F2N10O10S6 and a molecular weight of 1148.16 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-5-[5-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-5-[5-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide.

Molecular Properties

• Compound Name: N-(3-chloro-4-fluorophenyl)-5-[5-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-5-[5-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide
• PubChem CID: 160825394
• Molecular Formula: C42H42Cl2F2N10O10S6
• Molecular Weight: 1148.16 g/mol
• Exact Mass: 1146.08
• IUPAC Name: N-(3-chloro-4-fluorophenyl)-5-[5-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-5-[5-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide
• SMILES: CN1C(C(=O)Nc2ccc(F)c(Cl)c2)CC(c2ncc(-c3ccc(NS(C)(=O)=O)cc3)s2)NS1(=O)=O.CN1[C@H](C(=O)Nc2ccc(F)c(Cl)c2)C[C@H](c2ncc(-c3ccc(NS(C)(=O)=O)cc3)s2)NS1(=O)=O
• InChI: InChI=1S/2C21H21ClFN5O5S3/c2*1-28-18(20(29)25-14-7-8-16(23)15(22)9-14)10-17(27-36(28,32)33)21-24-11-19(34-21)12-3-5-13(6-4-12)26-35(2,30)31/h2*3-9,11,17-18,26-27H,10H2,1-2H3,(H,25,29)/t17-,18+;/m1./s1
• InChIKey: SGBZZVGENGQYHU-URBRKQAFSA-N
• XLogP: 6.38
• TPSA: 275.14 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1148.16
LogP ≤ 5	6.38
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-5-[5-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-5-[5-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide?

The IUPAC name of N-(3-chloro-4-fluorophenyl)-5-[5-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-5-[5-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide (CID 160825394) is N-(3-chloro-4-fluorophenyl)-5-[5-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-5-[5-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide.

What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-5-[5-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-5-[5-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide?

The canonical SMILES for N-(3-chloro-4-fluorophenyl)-5-[5-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-5-[5-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide is CN1C(C(=O)Nc2ccc(F)c(Cl)c2)CC(c2ncc(-c3ccc(NS(C)(=O)=O)cc3)s2)NS1(=O)=O.CN1[C@H](C(=O)Nc2ccc(F)c(Cl)c2)C[C@H](c2ncc(-c3ccc(NS(C)(=O)=O)cc3)s2)NS1(=O)=O.

What is the InChIKey of N-(3-chloro-4-fluorophenyl)-5-[5-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-5-[5-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide?

The InChIKey is SGBZZVGENGQYHU-URBRKQAFSA-N. The full InChI is InChI=1S/2C21H21ClFN5O5S3/c2*1-28-18(20(29)25-14-7-8-16(23)15(22)9-14)10-17(27-36(28,32)33)21-24-11-19(34-21)12-3-5-13(6-4-12)26-35(2,30)31/h2*3-9,11,17-18,26-27H,10H2,1-2H3,(H,25,29)/t17-,18+;/m1./s1.

What are the key properties of N-(3-chloro-4-fluorophenyl)-5-[5-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-5-[5-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide?

N-(3-chloro-4-fluorophenyl)-5-[5-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-5-[5-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide has a molecular weight of 1148.16 g/mol, XLogP of 6.38, 12 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-4-fluorophenyl)-5-[5-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-5-[5-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide is sourced from PubChem (CID 160825394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).