N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide

C22H18F3N3O4S — CID 55879660

IUPACN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)c3cccc1c23
InChIInChI=1S/C22H18F3N3O4S/c23-22(24,25)13-4-6-18(28-8-10-32-11-9-28)17(12-13)27-33(30,31)19-7-5-16-20-14(19)2-1-3-15(20)21(29)26-16/h1-7,12,27H,8-11H2,(H,26,29)
InChIKeyMZSNBZKPFQAQJS-UHFFFAOYSA-N
MW477.46 g/mol
LogP4.06
Rot. Bonds4

About N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide

N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide (PubChem CID 55879660) has the molecular formula C22H18F3N3O4S and a molecular weight of 477.46 g/mol. Its IUPAC name is N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide.

Molecular Properties

Compound NameN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
PubChem CID55879660
Molecular FormulaC22H18F3N3O4S
Molecular Weight477.46 g/mol
Exact Mass477.10
IUPAC NameN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
SMILESO=C1Nc2ccc(S(=O)(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)c3cccc1c23
InChIInChI=1S/C22H18F3N3O4S/c23-22(24,25)13-4-6-18(28-8-10-32-11-9-28)17(12-13)27-33(30,31)19-7-5-16-20-14(19)2-1-3-15(20)21(29)26-16/h1-7,12,27H,8-11H2,(H,26,29)
InChIKeyMZSNBZKPFQAQJS-UHFFFAOYSA-N
XLogP4.06
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.46
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The IUPAC name of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide (CID 55879660) is N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide.
What is the SMILES notation for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The canonical SMILES for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide is O=C1Nc2ccc(S(=O)(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)c3cccc1c23.
What is the InChIKey of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
The InChIKey is MZSNBZKPFQAQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O4S/c23-22(24,25)13-4-6-18(28-8-10-32-11-9-28)17(12-13)27-33(30,31)19-7-5-16-20-14(19)2-1-3-15(20)21(29)26-16/h1-7,12,27H,8-11H2,(H,26,29).
What are the key properties of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide?
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide has a molecular weight of 477.46 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide is sourced from PubChem (CID 55879660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).