4-[(5-bromo-2-carbamoyl-1H-indol-3-yl)sulfonyl]-N-(2,3-dihydro-1H-inden-2-yl)morpholine-2-carboxamide

C23H23BrN4O5S — CID 10053203

About 4-[(5-bromo-2-carbamoyl-1H-indol-3-yl)sulfonyl]-N-(2,3-dihydro-1H-inden-2-yl)morpholine-2-carboxamide

4-[(5-bromo-2-carbamoyl-1H-indol-3-yl)sulfonyl]-N-(2,3-dihydro-1H-inden-2-yl)morpholine-2-carboxamide (PubChem CID 10053203) has the molecular formula C23H23BrN4O5S and a molecular weight of 547.43 g/mol. Its IUPAC name is 4-[(5-bromo-2-carbamoyl-1H-indol-3-yl)sulfonyl]-N-(2,3-dihydro-1H-inden-2-yl)morpholine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[(5-bromo-2-carbamoyl-1H-indol-3-yl)sulfonyl]-N-(2,3-dihydro-1H-inden-2-yl)morpholine-2-carboxamide
• PubChem CID: 10053203
• Molecular Formula: C23H23BrN4O5S
• Molecular Weight: 547.43 g/mol
• Exact Mass: 546.06
• IUPAC Name: 4-[(5-bromo-2-carbamoyl-1H-indol-3-yl)sulfonyl]-N-(2,3-dihydro-1H-inden-2-yl)morpholine-2-carboxamide
• SMILES: NC(=O)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)N1CCOC(C(=O)NC2Cc3ccccc3C2)C1
• InChI: InChI=1S/C23H23BrN4O5S/c24-15-5-6-18-17(11-15)21(20(27-18)22(25)29)34(31,32)28-7-8-33-19(12-28)23(30)26-16-9-13-3-1-2-4-14(13)10-16/h1-6,11,16,19,27H,7-10,12H2,(H2,25,29)(H,26,30)
• InChIKey: KIYKWWQRXUTRAX-UHFFFAOYSA-N
• XLogP: 1.70
• TPSA: 134.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.43
LogP ≤ 5	1.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-carbamoyl-1H-indol-3-yl)sulfonyl]-N-(2,3-dihydro-1H-inden-2-yl)morpholine-2-carboxamide?

The IUPAC name of 4-[(5-bromo-2-carbamoyl-1H-indol-3-yl)sulfonyl]-N-(2,3-dihydro-1H-inden-2-yl)morpholine-2-carboxamide (CID 10053203) is 4-[(5-bromo-2-carbamoyl-1H-indol-3-yl)sulfonyl]-N-(2,3-dihydro-1H-inden-2-yl)morpholine-2-carboxamide.

What is the SMILES notation for 4-[(5-bromo-2-carbamoyl-1H-indol-3-yl)sulfonyl]-N-(2,3-dihydro-1H-inden-2-yl)morpholine-2-carboxamide?

The canonical SMILES for 4-[(5-bromo-2-carbamoyl-1H-indol-3-yl)sulfonyl]-N-(2,3-dihydro-1H-inden-2-yl)morpholine-2-carboxamide is NC(=O)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)N1CCOC(C(=O)NC2Cc3ccccc3C2)C1.

What is the InChIKey of 4-[(5-bromo-2-carbamoyl-1H-indol-3-yl)sulfonyl]-N-(2,3-dihydro-1H-inden-2-yl)morpholine-2-carboxamide?

The InChIKey is KIYKWWQRXUTRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN4O5S/c24-15-5-6-18-17(11-15)21(20(27-18)22(25)29)34(31,32)28-7-8-33-19(12-28)23(30)26-16-9-13-3-1-2-4-14(13)10-16/h1-6,11,16,19,27H,7-10,12H2,(H2,25,29)(H,26,30).

What are the key properties of 4-[(5-bromo-2-carbamoyl-1H-indol-3-yl)sulfonyl]-N-(2,3-dihydro-1H-inden-2-yl)morpholine-2-carboxamide?

4-[(5-bromo-2-carbamoyl-1H-indol-3-yl)sulfonyl]-N-(2,3-dihydro-1H-inden-2-yl)morpholine-2-carboxamide has a molecular weight of 547.43 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(5-bromo-2-carbamoyl-1H-indol-3-yl)sulfonyl]-N-(2,3-dihydro-1H-inden-2-yl)morpholine-2-carboxamide is sourced from PubChem (CID 10053203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).