[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethyl] (2S)-3-[3-(dimethylcarbamoyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylate;[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethyl] (2S)-1,3-thiazolidine-2-carboxylate;3-(dimethylcarbamoyl)benzenesulfonyl chloride;hydrochloride

C62H64Cl6F4N6O16S4 — CID 158305528

About [(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethyl] (2S)-3-[3-(dimethylcarbamoyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylate;[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethyl] (2S)-1,3-thiazolidine-2-carboxylate;3-(dimethylcarbamoyl)benzenesulfonyl chloride;hydrochloride

[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethyl] (2S)-3-[3-(dimethylcarbamoyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylate;[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethyl] (2S)-1,3-thiazolidine-2-carboxylate;3-(dimethylcarbamoyl)benzenesulfonyl chloride;hydrochloride (PubChem CID 158305528) has the molecular formula C62H64Cl6F4N6O16S4 and a molecular weight of 1566.20 g/mol. Its IUPAC name is [(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethyl] (2S)-3-[3-(dimethylcarbamoyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylate;[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethyl] (2S)-1,3-thiazolidine-2-carboxylate;3-(dimethylcarbamoyl)benzenesulfonyl chloride;hydrochloride.

Molecular Properties

• Compound Name: [(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethyl] (2S)-3-[3-(dimethylcarbamoyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylate;[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethyl] (2S)-1,3-thiazolidine-2-carboxylate;3-(dimethylcarbamoyl)benzenesulfonyl chloride;hydrochloride
• PubChem CID: 158305528
• Molecular Formula: C62H64Cl6F4N6O16S4
• Molecular Weight: 1566.20 g/mol
• Exact Mass: 1562.13
• IUPAC Name: [(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethyl] (2S)-3-[3-(dimethylcarbamoyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylate;[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethyl] (2S)-1,3-thiazolidine-2-carboxylate;3-(dimethylcarbamoyl)benzenesulfonyl chloride;hydrochloride
• SMILES: CN(C)C(=O)c1cccc(S(=O)(=O)Cl)c1.CN(C)C(=O)c1cccc(S(=O)(=O)N2CCS[C@H]2C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC(F)F)c(OCC3CC3)c2)c1.Cl.O=C(O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1)[C@H]1NCCS1
• InChI: InChI=1S/C31H31Cl2F2N3O8S2.C22H22Cl2F2N2O5S.C9H10ClNO3S.ClH/c1-36(2)28(39)20-4-3-5-21(12-20)48(42,43)38-10-11-47-29(38)30(40)45-26(14-22-23(32)15-37(41)16-24(22)33)19-8-9-25(46-31(34)35)27(13-19)44-17-18-6-7-18;23-15-9-28(30)10-16(24)14(15)8-18(32-21(29)20-27-5-6-34-20)13-3-4-17(33-22(25)26)19(7-13)31-11-12-1-2-12;1-11(2)9(12)7-4-3-5-8(6-7)15(10,13)14;/h3-5,8-9,12-13,15-16,18,26,29,31H,6-7,10-11,14,17H2,1-2H3;3-4,7,9-10,12,18,20,22,27H,1-2,5-6,8,11H2;3-6H,1-2H3;1H/t26-,29-;18-,20-;;/m00../s1
• InChIKey: VUUCNZJZIAXQBN-OPQZVFJESA-N
• XLogP: 11.55
• TPSA: 267.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 25
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1566.20
LogP ≤ 5	11.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethyl] (2S)-3-[3-(dimethylcarbamoyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylate;[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethyl] (2S)-1,3-thiazolidine-2-carboxylate;3-(dimethylcarbamoyl)benzenesulfonyl chloride;hydrochloride?

The IUPAC name of [(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethyl] (2S)-3-[3-(dimethylcarbamoyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylate;[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethyl] (2S)-1,3-thiazolidine-2-carboxylate;3-(dimethylcarbamoyl)benzenesulfonyl chloride;hydrochloride (CID 158305528) is [(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethyl] (2S)-3-[3-(dimethylcarbamoyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylate;[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethyl] (2S)-1,3-thiazolidine-2-carboxylate;3-(dimethylcarbamoyl)benzenesulfonyl chloride;hydrochloride.

What is the SMILES notation for [(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethyl] (2S)-3-[3-(dimethylcarbamoyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylate;[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethyl] (2S)-1,3-thiazolidine-2-carboxylate;3-(dimethylcarbamoyl)benzenesulfonyl chloride;hydrochloride?

The canonical SMILES for [(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethyl] (2S)-3-[3-(dimethylcarbamoyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylate;[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethyl] (2S)-1,3-thiazolidine-2-carboxylate;3-(dimethylcarbamoyl)benzenesulfonyl chloride;hydrochloride is CN(C)C(=O)c1cccc(S(=O)(=O)Cl)c1.CN(C)C(=O)c1cccc(S(=O)(=O)N2CCS[C@H]2C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC(F)F)c(OCC3CC3)c2)c1.Cl.O=C(O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1)[C@H]1NCCS1.

What is the InChIKey of [(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethyl] (2S)-3-[3-(dimethylcarbamoyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylate;[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethyl] (2S)-1,3-thiazolidine-2-carboxylate;3-(dimethylcarbamoyl)benzenesulfonyl chloride;hydrochloride?

The InChIKey is VUUCNZJZIAXQBN-OPQZVFJESA-N. The full InChI is InChI=1S/C31H31Cl2F2N3O8S2.C22H22Cl2F2N2O5S.C9H10ClNO3S.ClH/c1-36(2)28(39)20-4-3-5-21(12-20)48(42,43)38-10-11-47-29(38)30(40)45-26(14-22-23(32)15-37(41)16-24(22)33)19-8-9-25(46-31(34)35)27(13-19)44-17-18-6-7-18;23-15-9-28(30)10-16(24)14(15)8-18(32-21(29)20-27-5-6-34-20)13-3-4-17(33-22(25)26)19(7-13)31-11-12-1-2-12;1-11(2)9(12)7-4-3-5-8(6-7)15(10,13)14;/h3-5,8-9,12-13,15-16,18,26,29,31H,6-7,10-11,14,17H2,1-2H3;3-4,7,9-10,12,18,20,22,27H,1-2,5-6,8,11H2;3-6H,1-2H3;1H/t26-,29-;18-,20-;;/m00../s1.

What are the key properties of [(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethyl] (2S)-3-[3-(dimethylcarbamoyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylate;[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethyl] (2S)-1,3-thiazolidine-2-carboxylate;3-(dimethylcarbamoyl)benzenesulfonyl chloride;hydrochloride?

[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethyl] (2S)-3-[3-(dimethylcarbamoyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylate;[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethyl] (2S)-1,3-thiazolidine-2-carboxylate;3-(dimethylcarbamoyl)benzenesulfonyl chloride;hydrochloride has a molecular weight of 1566.20 g/mol, XLogP of 11.55, 25 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethyl] (2S)-3-[3-(dimethylcarbamoyl)phenyl]sulfonyl-1,3-thiazolidine-2-carboxylate;[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(3,5-dichloro-1-oxidopyridin-1-ium-4-yl)ethyl] (2S)-1,3-thiazolidine-2-carboxylate;3-(dimethylcarbamoyl)benzenesulfonyl chloride;hydrochloride is sourced from PubChem (CID 158305528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).