2-[(4-bromophenyl)sulfonylamino]-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide

C26H20BrClN4O3S2 — CID 155168482

About 2-[(4-bromophenyl)sulfonylamino]-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide

2-[(4-bromophenyl)sulfonylamino]-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide (PubChem CID 155168482) has the molecular formula C26H20BrClN4O3S2 and a molecular weight of 615.96 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonylamino]-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

• Compound Name: 2-[(4-bromophenyl)sulfonylamino]-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide
• PubChem CID: 155168482
• Molecular Formula: C26H20BrClN4O3S2
• Molecular Weight: 615.96 g/mol
• Exact Mass: 613.98
• IUPAC Name: 2-[(4-bromophenyl)sulfonylamino]-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide
• SMILES: O=C(Nc1nc(-c2ccccc2Cl)cs1)C(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Br)cc1
• InChI: InChI=1S/C26H20BrClN4O3S2/c27-17-9-11-18(12-10-17)37(34,35)32-23(13-16-14-29-22-8-4-2-5-19(16)22)25(33)31-26-30-24(15-36-26)20-6-1-3-7-21(20)28/h1-12,14-15,23,29,32H,13H2,(H,30,31,33)
• InChIKey: GJMGTWUPMHMKIN-UHFFFAOYSA-N
• XLogP: 6.24
• TPSA: 103.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	615.96
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide?

The IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide (CID 155168482) is 2-[(4-bromophenyl)sulfonylamino]-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide.

What is the SMILES notation for 2-[(4-bromophenyl)sulfonylamino]-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide?

The canonical SMILES for 2-[(4-bromophenyl)sulfonylamino]-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide is O=C(Nc1nc(-c2ccccc2Cl)cs1)C(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Br)cc1.

What is the InChIKey of 2-[(4-bromophenyl)sulfonylamino]-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide?

The InChIKey is GJMGTWUPMHMKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20BrClN4O3S2/c27-17-9-11-18(12-10-17)37(34,35)32-23(13-16-14-29-22-8-4-2-5-19(16)22)25(33)31-26-30-24(15-36-26)20-6-1-3-7-21(20)28/h1-12,14-15,23,29,32H,13H2,(H,30,31,33).

What are the key properties of 2-[(4-bromophenyl)sulfonylamino]-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide?

2-[(4-bromophenyl)sulfonylamino]-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 615.96 g/mol, XLogP of 6.24, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-bromophenyl)sulfonylamino]-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 155168482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).