(3R)-1-(4-bromophenyl)sulfonyl-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]piperidine-3-carboxamide

C26H25BrClN3O5S2 — CID 100800483

About (3R)-1-(4-bromophenyl)sulfonyl-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]piperidine-3-carboxamide

(3R)-1-(4-bromophenyl)sulfonyl-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]piperidine-3-carboxamide (PubChem CID 100800483) has the molecular formula C26H25BrClN3O5S2 and a molecular weight of 638.99 g/mol. Its IUPAC name is (3R)-1-(4-bromophenyl)sulfonyl-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-1-(4-bromophenyl)sulfonyl-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]piperidine-3-carboxamide
• PubChem CID: 100800483
• Molecular Formula: C26H25BrClN3O5S2
• Molecular Weight: 638.99 g/mol
• Exact Mass: 637.01
• IUPAC Name: (3R)-1-(4-bromophenyl)sulfonyl-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]piperidine-3-carboxamide
• SMILES: O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CC2)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1
• InChI: InChI=1S/C26H25BrClN3O5S2/c27-20-4-9-23(10-5-20)37(33,34)30-14-1-2-19(17-30)26(32)29-22-8-3-18-13-15-31(25(18)16-22)38(35,36)24-11-6-21(28)7-12-24/h3-12,16,19H,1-2,13-15,17H2,(H,29,32)/t19-/m1/s1
• InChIKey: HQVWBCNWJCALBS-LJQANCHMSA-N
• XLogP: 4.89
• TPSA: 103.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	638.99
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-bromophenyl)sulfonyl-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]piperidine-3-carboxamide?

The IUPAC name of (3R)-1-(4-bromophenyl)sulfonyl-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]piperidine-3-carboxamide (CID 100800483) is (3R)-1-(4-bromophenyl)sulfonyl-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]piperidine-3-carboxamide.

What is the SMILES notation for (3R)-1-(4-bromophenyl)sulfonyl-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]piperidine-3-carboxamide?

The canonical SMILES for (3R)-1-(4-bromophenyl)sulfonyl-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]piperidine-3-carboxamide is O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CC2)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1.

What is the InChIKey of (3R)-1-(4-bromophenyl)sulfonyl-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]piperidine-3-carboxamide?

The InChIKey is HQVWBCNWJCALBS-LJQANCHMSA-N. The full InChI is InChI=1S/C26H25BrClN3O5S2/c27-20-4-9-23(10-5-20)37(33,34)30-14-1-2-19(17-30)26(32)29-22-8-3-18-13-15-31(25(18)16-22)38(35,36)24-11-6-21(28)7-12-24/h3-12,16,19H,1-2,13-15,17H2,(H,29,32)/t19-/m1/s1.

What are the key properties of (3R)-1-(4-bromophenyl)sulfonyl-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]piperidine-3-carboxamide?

(3R)-1-(4-bromophenyl)sulfonyl-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]piperidine-3-carboxamide has a molecular weight of 638.99 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-(4-bromophenyl)sulfonyl-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]piperidine-3-carboxamide is sourced from PubChem (CID 100800483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).