5,6-dichloro-3-[5-(ethylaminomethyl)-2-methoxyphenyl]-1-(4-methoxyphenyl)sulfonyl-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one

C32H32Cl2N4O6S — CID 67443916

About 5,6-dichloro-3-[5-(ethylaminomethyl)-2-methoxyphenyl]-1-(4-methoxyphenyl)sulfonyl-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one

5,6-dichloro-3-[5-(ethylaminomethyl)-2-methoxyphenyl]-1-(4-methoxyphenyl)sulfonyl-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one (PubChem CID 67443916) has the molecular formula C32H32Cl2N4O6S and a molecular weight of 671.60 g/mol. Its IUPAC name is 5,6-dichloro-3-[5-(ethylaminomethyl)-2-methoxyphenyl]-1-(4-methoxyphenyl)sulfonyl-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one.

Molecular Properties

• Compound Name: 5,6-dichloro-3-[5-(ethylaminomethyl)-2-methoxyphenyl]-1-(4-methoxyphenyl)sulfonyl-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one
• PubChem CID: 67443916
• Molecular Formula: C32H32Cl2N4O6S
• Molecular Weight: 671.60 g/mol
• Exact Mass: 670.14
• IUPAC Name: 5,6-dichloro-3-[5-(ethylaminomethyl)-2-methoxyphenyl]-1-(4-methoxyphenyl)sulfonyl-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one
• SMILES: CCNCc1ccc(OC)c(C2(N3CCC[C@H]3c3ncco3)C(=O)N(S(=O)(=O)c3ccc(OC)cc3)c3cc(Cl)c(Cl)cc32)c1
• InChI: InChI=1S/C32H32Cl2N4O6S/c1-4-35-19-20-7-12-29(43-3)24(16-20)32(37-14-5-6-27(37)30-36-13-15-44-30)23-17-25(33)26(34)18-28(23)38(31(32)39)45(40,41)22-10-8-21(42-2)9-11-22/h7-13,15-18,27,35H,4-6,14,19H2,1-3H3/t27-,32?/m0/s1
• InChIKey: KFOPFGLQRSKXTA-BSXJZHEVSA-N
• XLogP: 5.92
• TPSA: 114.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	671.60
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-[5-(ethylaminomethyl)-2-methoxyphenyl]-1-(4-methoxyphenyl)sulfonyl-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one?

The IUPAC name of 5,6-dichloro-3-[5-(ethylaminomethyl)-2-methoxyphenyl]-1-(4-methoxyphenyl)sulfonyl-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one (CID 67443916) is 5,6-dichloro-3-[5-(ethylaminomethyl)-2-methoxyphenyl]-1-(4-methoxyphenyl)sulfonyl-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one.

What is the SMILES notation for 5,6-dichloro-3-[5-(ethylaminomethyl)-2-methoxyphenyl]-1-(4-methoxyphenyl)sulfonyl-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one?

The canonical SMILES for 5,6-dichloro-3-[5-(ethylaminomethyl)-2-methoxyphenyl]-1-(4-methoxyphenyl)sulfonyl-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one is CCNCc1ccc(OC)c(C2(N3CCC[C@H]3c3ncco3)C(=O)N(S(=O)(=O)c3ccc(OC)cc3)c3cc(Cl)c(Cl)cc32)c1.

What is the InChIKey of 5,6-dichloro-3-[5-(ethylaminomethyl)-2-methoxyphenyl]-1-(4-methoxyphenyl)sulfonyl-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one?

The InChIKey is KFOPFGLQRSKXTA-BSXJZHEVSA-N. The full InChI is InChI=1S/C32H32Cl2N4O6S/c1-4-35-19-20-7-12-29(43-3)24(16-20)32(37-14-5-6-27(37)30-36-13-15-44-30)23-17-25(33)26(34)18-28(23)38(31(32)39)45(40,41)22-10-8-21(42-2)9-11-22/h7-13,15-18,27,35H,4-6,14,19H2,1-3H3/t27-,32?/m0/s1.

What are the key properties of 5,6-dichloro-3-[5-(ethylaminomethyl)-2-methoxyphenyl]-1-(4-methoxyphenyl)sulfonyl-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one?

5,6-dichloro-3-[5-(ethylaminomethyl)-2-methoxyphenyl]-1-(4-methoxyphenyl)sulfonyl-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one has a molecular weight of 671.60 g/mol, XLogP of 5.92, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5,6-dichloro-3-[5-(ethylaminomethyl)-2-methoxyphenyl]-1-(4-methoxyphenyl)sulfonyl-3-[(2S)-2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]indol-2-one is sourced from PubChem (CID 67443916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).