2,4-dichloro-N-[3-chloro-5-[(6-methoxy-1,3-benzothiazol-2-yl)oxy]phenyl]benzenesulfonamide

C20H13Cl3N2O4S2 — CID 18511554

About 2,4-dichloro-N-[3-chloro-5-[(6-methoxy-1,3-benzothiazol-2-yl)oxy]phenyl]benzenesulfonamide

2,4-dichloro-N-[3-chloro-5-[(6-methoxy-1,3-benzothiazol-2-yl)oxy]phenyl]benzenesulfonamide (PubChem CID 18511554) has the molecular formula C20H13Cl3N2O4S2 and a molecular weight of 515.83 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-chloro-5-[(6-methoxy-1,3-benzothiazol-2-yl)oxy]phenyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 2,4-dichloro-N-[3-chloro-5-[(6-methoxy-1,3-benzothiazol-2-yl)oxy]phenyl]benzenesulfonamide
• PubChem CID: 18511554
• Molecular Formula: C20H13Cl3N2O4S2
• Molecular Weight: 515.83 g/mol
• Exact Mass: 513.94
• IUPAC Name: 2,4-dichloro-N-[3-chloro-5-[(6-methoxy-1,3-benzothiazol-2-yl)oxy]phenyl]benzenesulfonamide
• SMILES: COc1ccc2nc(Oc3cc(Cl)cc(NS(=O)(=O)c4ccc(Cl)cc4Cl)c3)sc2c1
• InChI: InChI=1S/C20H13Cl3N2O4S2/c1-28-14-3-4-17-18(10-14)30-20(24-17)29-15-7-12(22)6-13(9-15)25-31(26,27)19-5-2-11(21)8-16(19)23/h2-10,25H,1H3
• InChIKey: QNMVTXXMRLASBD-UHFFFAOYSA-N
• XLogP: 6.86
• TPSA: 77.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.83
LogP ≤ 5	6.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-chloro-5-[(6-methoxy-1,3-benzothiazol-2-yl)oxy]phenyl]benzenesulfonamide?

The IUPAC name of 2,4-dichloro-N-[3-chloro-5-[(6-methoxy-1,3-benzothiazol-2-yl)oxy]phenyl]benzenesulfonamide (CID 18511554) is 2,4-dichloro-N-[3-chloro-5-[(6-methoxy-1,3-benzothiazol-2-yl)oxy]phenyl]benzenesulfonamide.

What is the SMILES notation for 2,4-dichloro-N-[3-chloro-5-[(6-methoxy-1,3-benzothiazol-2-yl)oxy]phenyl]benzenesulfonamide?

The canonical SMILES for 2,4-dichloro-N-[3-chloro-5-[(6-methoxy-1,3-benzothiazol-2-yl)oxy]phenyl]benzenesulfonamide is COc1ccc2nc(Oc3cc(Cl)cc(NS(=O)(=O)c4ccc(Cl)cc4Cl)c3)sc2c1.

What is the InChIKey of 2,4-dichloro-N-[3-chloro-5-[(6-methoxy-1,3-benzothiazol-2-yl)oxy]phenyl]benzenesulfonamide?

The InChIKey is QNMVTXXMRLASBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl3N2O4S2/c1-28-14-3-4-17-18(10-14)30-20(24-17)29-15-7-12(22)6-13(9-15)25-31(26,27)19-5-2-11(21)8-16(19)23/h2-10,25H,1H3.

What are the key properties of 2,4-dichloro-N-[3-chloro-5-[(6-methoxy-1,3-benzothiazol-2-yl)oxy]phenyl]benzenesulfonamide?

2,4-dichloro-N-[3-chloro-5-[(6-methoxy-1,3-benzothiazol-2-yl)oxy]phenyl]benzenesulfonamide has a molecular weight of 515.83 g/mol, XLogP of 6.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-N-[3-chloro-5-[(6-methoxy-1,3-benzothiazol-2-yl)oxy]phenyl]benzenesulfonamide is sourced from PubChem (CID 18511554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).