N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-sulfonamide

C20H15Cl2N3O4S4 — CID 67970121

About N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-sulfonamide

N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-sulfonamide (PubChem CID 67970121) has the molecular formula C20H15Cl2N3O4S4 and a molecular weight of 560.53 g/mol. Its IUPAC name is N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

• Compound Name: N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-sulfonamide
• PubChem CID: 67970121
• Molecular Formula: C20H15Cl2N3O4S4
• Molecular Weight: 560.53 g/mol
• Exact Mass: 558.93
• IUPAC Name: N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-sulfonamide
• SMILES: Cc1nc(-c2ccccc2)sc1S(=O)(=O)Nc1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cccs1
• InChI: InChI=1S/C20H15Cl2N3O4S4/c1-12-20(31-19(23-12)13-6-3-2-4-7-13)33(28,29)25-17-11-15(22)14(21)10-16(17)24-32(26,27)18-8-5-9-30-18/h2-11,24-25H,1H3
• InChIKey: XNMCSQCDEVVIQI-UHFFFAOYSA-N
• XLogP: 6.09
• TPSA: 105.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.53
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-sulfonamide?

The IUPAC name of N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-sulfonamide (CID 67970121) is N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-sulfonamide.

What is the SMILES notation for N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-sulfonamide?

The canonical SMILES for N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-sulfonamide is Cc1nc(-c2ccccc2)sc1S(=O)(=O)Nc1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cccs1.

What is the InChIKey of N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-sulfonamide?

The InChIKey is XNMCSQCDEVVIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O4S4/c1-12-20(31-19(23-12)13-6-3-2-4-7-13)33(28,29)25-17-11-15(22)14(21)10-16(17)24-32(26,27)18-8-5-9-30-18/h2-11,24-25H,1H3.

What are the key properties of N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-sulfonamide?

N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-sulfonamide has a molecular weight of 560.53 g/mol, XLogP of 6.09, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]-4-methyl-2-phenyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 67970121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).