3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-chloro-2-hydroxybenzenesulfonamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-chloro-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N-methylbenzenesulfonamide

C85H100Cl2N20O20S8 — CID 158016364

About 3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-chloro-2-hydroxybenzenesulfonamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-chloro-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N-methylbenzenesulfonamide

3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-chloro-2-hydroxybenzenesulfonamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-chloro-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N-methylbenzenesulfonamide (PubChem CID 158016364) has the molecular formula C85H100Cl2N20O20S8 and a molecular weight of 2049.30 g/mol. Its IUPAC name is 3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-chloro-2-hydroxybenzenesulfonamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-chloro-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N-methylbenzenesulfonamide.

Molecular Properties

• Compound Name: 3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-chloro-2-hydroxybenzenesulfonamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-chloro-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N-methylbenzenesulfonamide
• PubChem CID: 158016364
• Molecular Formula: C85H100Cl2N20O20S8
• Molecular Weight: 2049.30 g/mol
• Exact Mass: 2046.46
• IUPAC Name: 3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-chloro-2-hydroxybenzenesulfonamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-chloro-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N-methylbenzenesulfonamide
• SMILES: CC(C)(C)[C@@H](Nc1nsnc1Nc1ccc(Cl)c(S(N)(=O)=O)c1O)c1ccc2c(c1)OCO2.CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2nsnc2N[C@@H](c2ccc3c(c2)OCO3)C(C)(C)C)c1O.CN(C)S(=O)(=O)c1cccc(Nc2nsnc2N[C@@H](c2ccc3c(c2)OCO3)C(C)(C)C)c1O.CNS(=O)(=O)c1cccc(Nc2nsnc2N[C@@H](c2ccc3c(c2)OCO3)C(C)(C)C)c1O
• InChI: InChI=1S/C22H26ClN5O5S2.C22H27N5O5S2.C21H25N5O5S2.C20H22ClN5O5S2/c1-22(2,3)19(12-6-9-15-16(10-12)33-11-32-15)25-21-20(26-34-27-21)24-14-8-7-13(23)18(17(14)29)35(30,31)28(4)5;1-22(2,3)19(13-9-10-15-16(11-13)32-12-31-15)24-21-20(25-33-26-21)23-14-7-6-8-17(18(14)28)34(29,30)27(4)5;1-21(2,3)18(12-8-9-14-15(10-12)31-11-30-14)24-20-19(25-32-26-20)23-13-6-5-7-16(17(13)27)33(28,29)22-4;1-20(2,3)17(10-4-7-13-14(8-10)31-9-30-13)24-19-18(25-32-26-19)23-12-6-5-11(21)16(15(12)27)33(22,28)29/h6-10,19,29H,11H2,1-5H3,(H,24,26)(H,25,27);6-11,19,28H,12H2,1-5H3,(H,23,25)(H,24,26);5-10,18,22,27H,11H2,1-4H3,(H,23,25)(H,24,26);4-8,17,27H,9H2,1-3H3,(H,23,25)(H,24,26)(H2,22,28,29)/t2*19-;18-;17-/m0000/s1
• InChIKey: FFNBPWMIXYPIEJ-JWGNBYEISA-N
• XLogP: 17.02
• TPSA: 535.21 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 40
• Rotatable Bonds: 27
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2049.30
LogP ≤ 5	17.02
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-chloro-2-hydroxybenzenesulfonamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-chloro-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N-methylbenzenesulfonamide?

The IUPAC name of 3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-chloro-2-hydroxybenzenesulfonamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-chloro-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N-methylbenzenesulfonamide (CID 158016364) is 3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-chloro-2-hydroxybenzenesulfonamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-chloro-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N-methylbenzenesulfonamide.

What is the SMILES notation for 3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-chloro-2-hydroxybenzenesulfonamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-chloro-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N-methylbenzenesulfonamide?

The canonical SMILES for 3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-chloro-2-hydroxybenzenesulfonamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-chloro-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N-methylbenzenesulfonamide is CC(C)(C)[C@@H](Nc1nsnc1Nc1ccc(Cl)c(S(N)(=O)=O)c1O)c1ccc2c(c1)OCO2.CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2nsnc2N[C@@H](c2ccc3c(c2)OCO3)C(C)(C)C)c1O.CN(C)S(=O)(=O)c1cccc(Nc2nsnc2N[C@@H](c2ccc3c(c2)OCO3)C(C)(C)C)c1O.CNS(=O)(=O)c1cccc(Nc2nsnc2N[C@@H](c2ccc3c(c2)OCO3)C(C)(C)C)c1O.

What is the InChIKey of 3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-chloro-2-hydroxybenzenesulfonamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-chloro-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N-methylbenzenesulfonamide?

The InChIKey is FFNBPWMIXYPIEJ-JWGNBYEISA-N. The full InChI is InChI=1S/C22H26ClN5O5S2.C22H27N5O5S2.C21H25N5O5S2.C20H22ClN5O5S2/c1-22(2,3)19(12-6-9-15-16(10-12)33-11-32-15)25-21-20(26-34-27-21)24-14-8-7-13(23)18(17(14)29)35(30,31)28(4)5;1-22(2,3)19(13-9-10-15-16(11-13)32-12-31-15)24-21-20(25-33-26-21)23-14-7-6-8-17(18(14)28)34(29,30)27(4)5;1-21(2,3)18(12-8-9-14-15(10-12)31-11-30-14)24-20-19(25-32-26-20)23-13-6-5-7-16(17(13)27)33(28,29)22-4;1-20(2,3)17(10-4-7-13-14(8-10)31-9-30-13)24-19-18(25-32-26-19)23-12-6-5-11(21)16(15(12)27)33(22,28)29/h6-10,19,29H,11H2,1-5H3,(H,24,26)(H,25,27);6-11,19,28H,12H2,1-5H3,(H,23,25)(H,24,26);5-10,18,22,27H,11H2,1-4H3,(H,23,25)(H,24,26);4-8,17,27H,9H2,1-3H3,(H,23,25)(H,24,26)(H2,22,28,29)/t2*19-;18-;17-/m0000/s1.

What are the key properties of 3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-chloro-2-hydroxybenzenesulfonamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-chloro-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N-methylbenzenesulfonamide?

3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-chloro-2-hydroxybenzenesulfonamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-chloro-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N-methylbenzenesulfonamide has a molecular weight of 2049.30 g/mol, XLogP of 17.02, 27 rotatable bonds, 14 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-chloro-2-hydroxybenzenesulfonamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-6-chloro-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzenesulfonamide;3-[[4-[[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]amino]-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 158016364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).