2,5-dichloro-N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-cyclopropylbenzenesulfonamide

C24H21Cl3N2O3S2 — CID 3963489

About 2,5-dichloro-N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-cyclopropylbenzenesulfonamide

2,5-dichloro-N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-cyclopropylbenzenesulfonamide (PubChem CID 3963489) has the molecular formula C24H21Cl3N2O3S2 and a molecular weight of 555.94 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-cyclopropylbenzenesulfonamide.

Molecular Properties

• Compound Name: 2,5-dichloro-N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-cyclopropylbenzenesulfonamide
• PubChem CID: 3963489
• Molecular Formula: C24H21Cl3N2O3S2
• Molecular Weight: 555.94 g/mol
• Exact Mass: 554.01
• IUPAC Name: 2,5-dichloro-N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-cyclopropylbenzenesulfonamide
• SMILES: O=C(CN(C1CC1)S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCc2sccc2C1c1ccc(Cl)cc1
• InChI: InChI=1S/C24H21Cl3N2O3S2/c25-16-3-1-15(2-4-16)24-19-10-12-33-21(19)9-11-28(24)23(30)14-29(18-6-7-18)34(31,32)22-13-17(26)5-8-20(22)27/h1-5,8,10,12-13,18,24H,6-7,9,11,14H2
• InChIKey: WOJNBHPOXKMDHQ-UHFFFAOYSA-N
• XLogP: 6.04
• TPSA: 57.69 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.94
LogP ≤ 5	6.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-cyclopropylbenzenesulfonamide?

The IUPAC name of 2,5-dichloro-N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-cyclopropylbenzenesulfonamide (CID 3963489) is 2,5-dichloro-N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-cyclopropylbenzenesulfonamide.

What is the SMILES notation for 2,5-dichloro-N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-cyclopropylbenzenesulfonamide?

The canonical SMILES for 2,5-dichloro-N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-cyclopropylbenzenesulfonamide is O=C(CN(C1CC1)S(=O)(=O)c1cc(Cl)ccc1Cl)N1CCc2sccc2C1c1ccc(Cl)cc1.

What is the InChIKey of 2,5-dichloro-N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-cyclopropylbenzenesulfonamide?

The InChIKey is WOJNBHPOXKMDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl3N2O3S2/c25-16-3-1-15(2-4-16)24-19-10-12-33-21(19)9-11-28(24)23(30)14-29(18-6-7-18)34(31,32)22-13-17(26)5-8-20(22)27/h1-5,8,10,12-13,18,24H,6-7,9,11,14H2.

What are the key properties of 2,5-dichloro-N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-cyclopropylbenzenesulfonamide?

2,5-dichloro-N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-cyclopropylbenzenesulfonamide has a molecular weight of 555.94 g/mol, XLogP of 6.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dichloro-N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 3963489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).