N-[5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-methoxyethyl]-2-chlorophenyl]methanesulfonamide

C24H26ClN3O4S — CID 18615264

IUPACN-[5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-methoxyethyl]-2-chlorophenyl]methanesulfonamide
SMILESCOC(CNCCOc1ccc2c(c1)[nH]c1ccccc12)c1ccc(Cl)c(NS(C)(=O)=O)c1
InChIInChI=1S/C24H26ClN3O4S/c1-31-24(16-7-10-20(25)23(13-16)28-33(2,29)30)15-26-11-12-32-17-8-9-19-18-5-3-4-6-21(18)27-22(19)14-17/h3-10,13-14,24,26-28H,11-12,15H2,1-2H3
InChIKeyDPQGYXCIPFDIBG-UHFFFAOYSA-N
MW488.01 g/mol
LogP4.70
Rot. Bonds10

About N-[5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-methoxyethyl]-2-chlorophenyl]methanesulfonamide

N-[5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-methoxyethyl]-2-chlorophenyl]methanesulfonamide (PubChem CID 18615264) has the molecular formula C24H26ClN3O4S and a molecular weight of 488.01 g/mol. Its IUPAC name is N-[5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-methoxyethyl]-2-chlorophenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-methoxyethyl]-2-chlorophenyl]methanesulfonamide
PubChem CID18615264
Molecular FormulaC24H26ClN3O4S
Molecular Weight488.01 g/mol
Exact Mass487.13
IUPAC NameN-[5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-methoxyethyl]-2-chlorophenyl]methanesulfonamide
SMILESCOC(CNCCOc1ccc2c(c1)[nH]c1ccccc12)c1ccc(Cl)c(NS(C)(=O)=O)c1
InChIInChI=1S/C24H26ClN3O4S/c1-31-24(16-7-10-20(25)23(13-16)28-33(2,29)30)15-26-11-12-32-17-8-9-19-18-5-3-4-6-21(18)27-22(19)14-17/h3-10,13-14,24,26-28H,11-12,15H2,1-2H3
InChIKeyDPQGYXCIPFDIBG-UHFFFAOYSA-N
XLogP4.70
TPSA92.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.01
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-methoxyethyl]-2-chlorophenyl]methanesulfonamide?
The IUPAC name of N-[5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-methoxyethyl]-2-chlorophenyl]methanesulfonamide (CID 18615264) is N-[5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-methoxyethyl]-2-chlorophenyl]methanesulfonamide.
What is the SMILES notation for N-[5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-methoxyethyl]-2-chlorophenyl]methanesulfonamide?
The canonical SMILES for N-[5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-methoxyethyl]-2-chlorophenyl]methanesulfonamide is COC(CNCCOc1ccc2c(c1)[nH]c1ccccc12)c1ccc(Cl)c(NS(C)(=O)=O)c1.
What is the InChIKey of N-[5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-methoxyethyl]-2-chlorophenyl]methanesulfonamide?
The InChIKey is DPQGYXCIPFDIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O4S/c1-31-24(16-7-10-20(25)23(13-16)28-33(2,29)30)15-26-11-12-32-17-8-9-19-18-5-3-4-6-21(18)27-22(19)14-17/h3-10,13-14,24,26-28H,11-12,15H2,1-2H3.
What are the key properties of N-[5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-methoxyethyl]-2-chlorophenyl]methanesulfonamide?
N-[5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-methoxyethyl]-2-chlorophenyl]methanesulfonamide has a molecular weight of 488.01 g/mol, XLogP of 4.70, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[2-(9H-carbazol-2-yloxy)ethylamino]-1-methoxyethyl]-2-chlorophenyl]methanesulfonamide is sourced from PubChem (CID 18615264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).