6-chloro-3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxybenzenesulfonamide;6-chloro-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxybenzenesulfonamide;6-chloro-2-hydroxy-3-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;6-chloro-2-hydroxy-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;methane

C77H106Cl4N20O20S8 — CID 157410641

About 6-chloro-3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxybenzenesulfonamide;6-chloro-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxybenzenesulfonamide;6-chloro-2-hydroxy-3-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;6-chloro-2-hydroxy-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;methane

6-chloro-3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxybenzenesulfonamide;6-chloro-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxybenzenesulfonamide;6-chloro-2-hydroxy-3-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;6-chloro-2-hydroxy-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;methane (PubChem CID 157410641) has the molecular formula C77H106Cl4N20O20S8 and a molecular weight of 2030.16 g/mol. Its IUPAC name is 6-chloro-3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxybenzenesulfonamide;6-chloro-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxybenzenesulfonamide;6-chloro-2-hydroxy-3-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;6-chloro-2-hydroxy-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;methane.

Molecular Properties

• Compound Name: 6-chloro-3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxybenzenesulfonamide;6-chloro-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxybenzenesulfonamide;6-chloro-2-hydroxy-3-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;6-chloro-2-hydroxy-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;methane
• PubChem CID: 157410641
• Molecular Formula: C77H106Cl4N20O20S8
• Molecular Weight: 2030.16 g/mol
• Exact Mass: 2026.44
• IUPAC Name: 6-chloro-3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxybenzenesulfonamide;6-chloro-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxybenzenesulfonamide;6-chloro-2-hydroxy-3-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;6-chloro-2-hydroxy-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;methane
• SMILES: C.C.C.C.CC(C)c1coc([C@H](NC2=NS(=O)N=C2Nc2ccc(Cl)c(S(N)(=O)=O)c2O)C(C)C)c1.CC[C@@H](NC1=NS(=O)N=C1Nc1ccc(Cl)c(S(N)(=O)=O)c1O)c1cc(C(C)C)co1.Cc1cc([C@H](NC2=NS(=O)N=C2Nc2ccc(Cl)c(S(N)(=O)=O)c2O)C(C)C)oc1C.Cc1ccc([C@H](NC2=NS(=O)N=C2Nc2ccc(Cl)c(S(N)(=O)=O)c2O)C(C)(C)C)o1
• InChI: InChI=1S/C19H24ClN5O5S2.3C18H22ClN5O5S2.4CH4/c1-9(2)11-7-14(30-8-11)15(10(3)4)23-19-18(24-31(27)25-19)22-13-6-5-12(20)17(16(13)26)32(21,28)29;1-9-5-8-12(29-9)15(18(2,3)4)22-17-16(23-30(26)24-17)21-11-7-6-10(19)14(13(11)25)31(20,27)28;1-8(2)14(13-7-9(3)10(4)29-13)22-18-17(23-30(26)24-18)21-12-6-5-11(19)16(15(12)25)31(20,27)28;1-4-12(14-7-10(8-29-14)9(2)3)21-17-18(24-30(26)23-17)22-13-6-5-11(19)16(15(13)25)31(20,27)28;;;;/h5-10,15,26H,1-4H3,(H,22,24)(H,23,25)(H2,21,28,29);5-8,15,25H,1-4H3,(H,21,23)(H,22,24)(H2,20,27,28);5-8,14,25H,1-4H3,(H,21,23)(H,22,24)(H2,20,27,28);5-9,12,25H,4H2,1-3H3,(H,21,23)(H,22,24)(H2,20,27,28);4*1H4/t15-,31?;15-,30?;14-,30?;12-,30?;;;;/m1011..../s1
• InChIKey: BOGAMQHBRBDTFJ-BAGXPDMNSA-N
• XLogP: 14.16
• TPSA: 637.52 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 28
• Rotatable Bonds: 21
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2030.16
LogP ≤ 5	14.16
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxybenzenesulfonamide;6-chloro-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxybenzenesulfonamide;6-chloro-2-hydroxy-3-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;6-chloro-2-hydroxy-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;methane?

The IUPAC name of 6-chloro-3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxybenzenesulfonamide;6-chloro-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxybenzenesulfonamide;6-chloro-2-hydroxy-3-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;6-chloro-2-hydroxy-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;methane (CID 157410641) is 6-chloro-3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxybenzenesulfonamide;6-chloro-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxybenzenesulfonamide;6-chloro-2-hydroxy-3-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;6-chloro-2-hydroxy-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;methane.

What is the SMILES notation for 6-chloro-3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxybenzenesulfonamide;6-chloro-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxybenzenesulfonamide;6-chloro-2-hydroxy-3-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;6-chloro-2-hydroxy-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;methane?

The canonical SMILES for 6-chloro-3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxybenzenesulfonamide;6-chloro-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxybenzenesulfonamide;6-chloro-2-hydroxy-3-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;6-chloro-2-hydroxy-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;methane is C.C.C.C.CC(C)c1coc([C@H](NC2=NS(=O)N=C2Nc2ccc(Cl)c(S(N)(=O)=O)c2O)C(C)C)c1.CC[C@@H](NC1=NS(=O)N=C1Nc1ccc(Cl)c(S(N)(=O)=O)c1O)c1cc(C(C)C)co1.Cc1cc([C@H](NC2=NS(=O)N=C2Nc2ccc(Cl)c(S(N)(=O)=O)c2O)C(C)C)oc1C.Cc1ccc([C@H](NC2=NS(=O)N=C2Nc2ccc(Cl)c(S(N)(=O)=O)c2O)C(C)(C)C)o1.

What is the InChIKey of 6-chloro-3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxybenzenesulfonamide;6-chloro-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxybenzenesulfonamide;6-chloro-2-hydroxy-3-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;6-chloro-2-hydroxy-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;methane?

The InChIKey is BOGAMQHBRBDTFJ-BAGXPDMNSA-N. The full InChI is InChI=1S/C19H24ClN5O5S2.3C18H22ClN5O5S2.4CH4/c1-9(2)11-7-14(30-8-11)15(10(3)4)23-19-18(24-31(27)25-19)22-13-6-5-12(20)17(16(13)26)32(21,28)29;1-9-5-8-12(29-9)15(18(2,3)4)22-17-16(23-30(26)24-17)21-11-7-6-10(19)14(13(11)25)31(20,27)28;1-8(2)14(13-7-9(3)10(4)29-13)22-18-17(23-30(26)24-18)21-12-6-5-11(19)16(15(12)25)31(20,27)28;1-4-12(14-7-10(8-29-14)9(2)3)21-17-18(24-30(26)23-17)22-13-6-5-11(19)16(15(13)25)31(20,27)28;;;;/h5-10,15,26H,1-4H3,(H,22,24)(H,23,25)(H2,21,28,29);5-8,15,25H,1-4H3,(H,21,23)(H,22,24)(H2,20,27,28);5-8,14,25H,1-4H3,(H,21,23)(H,22,24)(H2,20,27,28);5-9,12,25H,4H2,1-3H3,(H,21,23)(H,22,24)(H2,20,27,28);4*1H4/t15-,31?;15-,30?;14-,30?;12-,30?;;;;/m1011..../s1.

What are the key properties of 6-chloro-3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxybenzenesulfonamide;6-chloro-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxybenzenesulfonamide;6-chloro-2-hydroxy-3-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;6-chloro-2-hydroxy-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;methane?

6-chloro-3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxybenzenesulfonamide;6-chloro-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxybenzenesulfonamide;6-chloro-2-hydroxy-3-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;6-chloro-2-hydroxy-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;methane has a molecular weight of 2030.16 g/mol, XLogP of 14.16, 21 rotatable bonds, 16 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-[[4-[[(1R)-1-(4,5-dimethylfuran-2-yl)-2-methylpropyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxybenzenesulfonamide;6-chloro-3-[[4-[[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxybenzenesulfonamide;6-chloro-2-hydroxy-3-[[4-[[(1R)-2-methyl-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;6-chloro-2-hydroxy-3-[[1-oxo-4-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]-1,2,5-thiadiazol-3-yl]amino]benzenesulfonamide;methane is sourced from PubChem (CID 157410641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).