N-[2-chloro-5-[(1R)-1-hydroxy-2-[2-[(7-methoxy-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide

C24H26ClN3O5S — CID 70036087

About N-[2-chloro-5-[(1R)-1-hydroxy-2-[2-[(7-methoxy-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide

N-[2-chloro-5-[(1R)-1-hydroxy-2-[2-[(7-methoxy-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide (PubChem CID 70036087) has the molecular formula C24H26ClN3O5S and a molecular weight of 504.01 g/mol. Its IUPAC name is N-[2-chloro-5-[(1R)-1-hydroxy-2-[2-[(7-methoxy-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[2-chloro-5-[(1R)-1-hydroxy-2-[2-[(7-methoxy-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide
• PubChem CID: 70036087
• Molecular Formula: C24H26ClN3O5S
• Molecular Weight: 504.01 g/mol
• Exact Mass: 503.13
• IUPAC Name: N-[2-chloro-5-[(1R)-1-hydroxy-2-[2-[(7-methoxy-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide
• SMILES: COc1ccc2c(c1)[nH]c1cc(OCCNC[C@H](O)c3ccc(Cl)c(NS(C)(=O)=O)c3)ccc12
• InChI: InChI=1S/C24H26ClN3O5S/c1-32-16-4-6-18-19-7-5-17(13-22(19)27-21(18)12-16)33-10-9-26-14-24(29)15-3-8-20(25)23(11-15)28-34(2,30)31/h3-8,11-13,24,26-29H,9-10,14H2,1-2H3/t24-/m0/s1
• InChIKey: XROOMTKBTBNAHE-DEOSSOPVSA-N
• XLogP: 4.06
• TPSA: 112.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.01
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[(1R)-1-hydroxy-2-[2-[(7-methoxy-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide?

The IUPAC name of N-[2-chloro-5-[(1R)-1-hydroxy-2-[2-[(7-methoxy-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide (CID 70036087) is N-[2-chloro-5-[(1R)-1-hydroxy-2-[2-[(7-methoxy-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide.

What is the SMILES notation for N-[2-chloro-5-[(1R)-1-hydroxy-2-[2-[(7-methoxy-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide?

The canonical SMILES for N-[2-chloro-5-[(1R)-1-hydroxy-2-[2-[(7-methoxy-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide is COc1ccc2c(c1)[nH]c1cc(OCCNC[C@H](O)c3ccc(Cl)c(NS(C)(=O)=O)c3)ccc12.

What is the InChIKey of N-[2-chloro-5-[(1R)-1-hydroxy-2-[2-[(7-methoxy-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide?

The InChIKey is XROOMTKBTBNAHE-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H26ClN3O5S/c1-32-16-4-6-18-19-7-5-17(13-22(19)27-21(18)12-16)33-10-9-26-14-24(29)15-3-8-20(25)23(11-15)28-34(2,30)31/h3-8,11-13,24,26-29H,9-10,14H2,1-2H3/t24-/m0/s1.

What are the key properties of N-[2-chloro-5-[(1R)-1-hydroxy-2-[2-[(7-methoxy-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide?

N-[2-chloro-5-[(1R)-1-hydroxy-2-[2-[(7-methoxy-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide has a molecular weight of 504.01 g/mol, XLogP of 4.06, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-5-[(1R)-1-hydroxy-2-[2-[(7-methoxy-9H-carbazol-2-yl)oxy]ethylamino]ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 70036087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).