4-amino-3,5-dichloro-N-[4-(2-chloroimidazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide

C19H24Cl3N5O3S — CID 58509147

About 4-amino-3,5-dichloro-N-[4-(2-chloroimidazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide

4-amino-3,5-dichloro-N-[4-(2-chloroimidazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide (PubChem CID 58509147) has the molecular formula C19H24Cl3N5O3S and a molecular weight of 508.86 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-[4-(2-chloroimidazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-amino-3,5-dichloro-N-[4-(2-chloroimidazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
• PubChem CID: 58509147
• Molecular Formula: C19H24Cl3N5O3S
• Molecular Weight: 508.86 g/mol
• Exact Mass: 507.07
• IUPAC Name: 4-amino-3,5-dichloro-N-[4-(2-chloroimidazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
• SMILES: CC1CCN(C(=O)C(CCn2ccnc2Cl)NS(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)CC1
• InChI: InChI=1S/C19H24Cl3N5O3S/c1-12-2-6-26(7-3-12)18(28)16(4-8-27-9-5-24-19(27)22)25-31(29,30)13-10-14(20)17(23)15(21)11-13/h5,9-12,16,25H,2-4,6-8,23H2,1H3
• InChIKey: RZLSSFILWYBGQK-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 110.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.86
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-[4-(2-chloroimidazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide?

The IUPAC name of 4-amino-3,5-dichloro-N-[4-(2-chloroimidazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide (CID 58509147) is 4-amino-3,5-dichloro-N-[4-(2-chloroimidazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide.

What is the SMILES notation for 4-amino-3,5-dichloro-N-[4-(2-chloroimidazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide?

The canonical SMILES for 4-amino-3,5-dichloro-N-[4-(2-chloroimidazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide is CC1CCN(C(=O)C(CCn2ccnc2Cl)NS(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)CC1.

What is the InChIKey of 4-amino-3,5-dichloro-N-[4-(2-chloroimidazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide?

The InChIKey is RZLSSFILWYBGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl3N5O3S/c1-12-2-6-26(7-3-12)18(28)16(4-8-27-9-5-24-19(27)22)25-31(29,30)13-10-14(20)17(23)15(21)11-13/h5,9-12,16,25H,2-4,6-8,23H2,1H3.

What are the key properties of 4-amino-3,5-dichloro-N-[4-(2-chloroimidazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide?

4-amino-3,5-dichloro-N-[4-(2-chloroimidazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide has a molecular weight of 508.86 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-3,5-dichloro-N-[4-(2-chloroimidazol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide is sourced from PubChem (CID 58509147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).