3-[4,5-bis(4-chlorophenyl)-1-(4-ethylsulfonylpiperazine-1-carbonyl)-4,5-dihydroimidazol-2-yl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide

C34H41Cl2N5O7S2 — CID 11857037

About 3-[4,5-bis(4-chlorophenyl)-1-(4-ethylsulfonylpiperazine-1-carbonyl)-4,5-dihydroimidazol-2-yl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide

3-[4,5-bis(4-chlorophenyl)-1-(4-ethylsulfonylpiperazine-1-carbonyl)-4,5-dihydroimidazol-2-yl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide (PubChem CID 11857037) has the molecular formula C34H41Cl2N5O7S2 and a molecular weight of 766.77 g/mol. Its IUPAC name is 3-[4,5-bis(4-chlorophenyl)-1-(4-ethylsulfonylpiperazine-1-carbonyl)-4,5-dihydroimidazol-2-yl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: 3-[4,5-bis(4-chlorophenyl)-1-(4-ethylsulfonylpiperazine-1-carbonyl)-4,5-dihydroimidazol-2-yl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide
• PubChem CID: 11857037
• Molecular Formula: C34H41Cl2N5O7S2
• Molecular Weight: 766.77 g/mol
• Exact Mass: 765.18
• IUPAC Name: 3-[4,5-bis(4-chlorophenyl)-1-(4-ethylsulfonylpiperazine-1-carbonyl)-4,5-dihydroimidazol-2-yl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide
• SMILES: CCOc1ccc(S(=O)(=O)NC(C)COC)cc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCN(S(=O)(=O)CC)CC1
• InChI: InChI=1S/C34H41Cl2N5O7S2/c1-5-48-30-16-15-28(50(45,46)38-23(3)22-47-4)21-29(30)33-37-31(24-7-11-26(35)12-8-24)32(25-9-13-27(36)14-10-25)41(33)34(42)39-17-19-40(20-18-39)49(43,44)6-2/h7-16,21,23,31-32,38H,5-6,17-20,22H2,1-4H3
• InChIKey: WSAMHDKUANFPPQ-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 137.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	766.77
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[4,5-bis(4-chlorophenyl)-1-(4-ethylsulfonylpiperazine-1-carbonyl)-4,5-dihydroimidazol-2-yl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide?

The IUPAC name of 3-[4,5-bis(4-chlorophenyl)-1-(4-ethylsulfonylpiperazine-1-carbonyl)-4,5-dihydroimidazol-2-yl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide (CID 11857037) is 3-[4,5-bis(4-chlorophenyl)-1-(4-ethylsulfonylpiperazine-1-carbonyl)-4,5-dihydroimidazol-2-yl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide.

What is the SMILES notation for 3-[4,5-bis(4-chlorophenyl)-1-(4-ethylsulfonylpiperazine-1-carbonyl)-4,5-dihydroimidazol-2-yl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide?

The canonical SMILES for 3-[4,5-bis(4-chlorophenyl)-1-(4-ethylsulfonylpiperazine-1-carbonyl)-4,5-dihydroimidazol-2-yl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)NC(C)COC)cc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCN(S(=O)(=O)CC)CC1.

What is the InChIKey of 3-[4,5-bis(4-chlorophenyl)-1-(4-ethylsulfonylpiperazine-1-carbonyl)-4,5-dihydroimidazol-2-yl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide?

The InChIKey is WSAMHDKUANFPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41Cl2N5O7S2/c1-5-48-30-16-15-28(50(45,46)38-23(3)22-47-4)21-29(30)33-37-31(24-7-11-26(35)12-8-24)32(25-9-13-27(36)14-10-25)41(33)34(42)39-17-19-40(20-18-39)49(43,44)6-2/h7-16,21,23,31-32,38H,5-6,17-20,22H2,1-4H3.

What are the key properties of 3-[4,5-bis(4-chlorophenyl)-1-(4-ethylsulfonylpiperazine-1-carbonyl)-4,5-dihydroimidazol-2-yl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide?

3-[4,5-bis(4-chlorophenyl)-1-(4-ethylsulfonylpiperazine-1-carbonyl)-4,5-dihydroimidazol-2-yl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide has a molecular weight of 766.77 g/mol, XLogP of 5.34, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4,5-bis(4-chlorophenyl)-1-(4-ethylsulfonylpiperazine-1-carbonyl)-4,5-dihydroimidazol-2-yl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 11857037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).