(2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(3,3-diphenylpropyl)propanamide;methane

C₃₁H₃₁Cl₂FN₂O₃S — CID 158926383

About (2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(3,3-diphenylpropyl)propanamide;methane

(2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(3,3-diphenylpropyl)propanamide;methane (PubChem CID 158926383) has the molecular formula C₃₁H₃₁Cl₂FN₂O₃S and a molecular weight of 601.57 g/mol. Its IUPAC name is (2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(3,3-diphenylpropyl)propanamide;methane.

Molecular Properties

• Compound Name: (2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(3,3-diphenylpropyl)propanamide;methane
• PubChem CID: 158926383
• Molecular Formula: C₃₁H₃₁Cl₂FN₂O₃S
• Molecular Weight: 601.57 g/mol
• Exact Mass: 600.14
• IUPAC Name: (2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(3,3-diphenylpropyl)propanamide;methane
• SMILES: C.C[C@H](C(=O)NCCC(c1ccccc1)c1ccccc1)N(c1cc(Cl)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
• InChI: InChI=1S/C30H27Cl2FN2O3S.CH4/c1-21(30(36)34-19-18-27(22-8-4-2-5-9-22)23-10-6-3-7-11-23)35(29-20-25(32)14-17-28(29)33)39(37,38)26-15-12-24(31)13-16-26;/h2-17,20-21,27H,18-19H2,1H3,(H,34,36);1H4/t21-;/m1./s1
• InChIKey: JIMNALHNEOQJGJ-ZMBIFBSDSA-N
• XLogP: 7.69
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.57
LogP ≤ 5	7.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(3,3-diphenylpropyl)propanamide;methane?

The IUPAC name of (2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(3,3-diphenylpropyl)propanamide;methane (CID 158926383) is (2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(3,3-diphenylpropyl)propanamide;methane.

What is the SMILES notation for (2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(3,3-diphenylpropyl)propanamide;methane?

The canonical SMILES for (2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(3,3-diphenylpropyl)propanamide;methane is C.C[C@H](C(=O)NCCC(c1ccccc1)c1ccccc1)N(c1cc(Cl)ccc1F)S(=O)(=O)c1ccc(Cl)cc1.

What is the InChIKey of (2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(3,3-diphenylpropyl)propanamide;methane?

The InChIKey is JIMNALHNEOQJGJ-ZMBIFBSDSA-N. The full InChI is InChI=1S/C30H27Cl2FN2O3S.CH4/c1-21(30(36)34-19-18-27(22-8-4-2-5-9-22)23-10-6-3-7-11-23)35(29-20-25(32)14-17-28(29)33)39(37,38)26-15-12-24(31)13-16-26;/h2-17,20-21,27H,18-19H2,1H3,(H,34,36);1H4/t21-;/m1./s1.

What are the key properties of (2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(3,3-diphenylpropyl)propanamide;methane?

(2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(3,3-diphenylpropyl)propanamide;methane has a molecular weight of 601.57 g/mol, XLogP of 7.69, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(5-chloro-N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)-N-(3,3-diphenylpropyl)propanamide;methane is sourced from PubChem (CID 158926383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158926383 — identifiers, structure, computed properties (public domain)

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