5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide

C25H24ClN3O5S — CID 134815508

About 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide

5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide (PubChem CID 134815508) has the molecular formula C25H24ClN3O5S and a molecular weight of 514.00 g/mol. Its IUPAC name is 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
• PubChem CID: 134815508
• Molecular Formula: C25H24ClN3O5S
• Molecular Weight: 514.00 g/mol
• Exact Mass: 513.11
• IUPAC Name: 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
• SMILES: Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)NC(C)C(=O)NCc3ccco3)[nH]c3ccc(Cl)cc23)c1
• InChI: InChI=1S/C25H24ClN3O5S/c1-14-9-15(2)11-19(10-14)35(32,33)23-20-12-17(26)6-7-21(20)29-22(23)25(31)28-16(3)24(30)27-13-18-5-4-8-34-18/h4-12,16,29H,13H2,1-3H3,(H,27,30)(H,28,31)
• InChIKey: WELFAQZBXUHRGH-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 121.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.00
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide?

The IUPAC name of 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide (CID 134815508) is 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide.

What is the SMILES notation for 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide?

The canonical SMILES for 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide is Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)NC(C)C(=O)NCc3ccco3)[nH]c3ccc(Cl)cc23)c1.

What is the InChIKey of 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide?

The InChIKey is WELFAQZBXUHRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O5S/c1-14-9-15(2)11-19(10-14)35(32,33)23-20-12-17(26)6-7-21(20)29-22(23)25(31)28-16(3)24(30)27-13-18-5-4-8-34-18/h4-12,16,29H,13H2,1-3H3,(H,27,30)(H,28,31).

What are the key properties of 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide?

5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 514.00 g/mol, XLogP of 4.30, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 134815508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).