N-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]-1,1,1-trifluoromethanesulfonamide

C21H14F5N3O3S — CID 59238916

IUPACN-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NCCOc1c2[nH]c3ccc(F)cc3c2cc2c1[nH]c1ccc(F)cc12)C(F)(F)F
InChIInChI=1S/C21H14F5N3O3S/c22-10-1-3-16-12(7-10)14-9-15-13-8-11(23)2-4-17(13)29-19(15)20(18(14)28-16)32-6-5-27-33(30,31)21(24,25)26/h1-4,7-9,27-29H,5-6H2
InChIKeyDRUMRUKJKDNPEJ-UHFFFAOYSA-N
MW483.42 g/mol
LogP5.05
Rot. Bonds5

About N-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]-1,1,1-trifluoromethanesulfonamide

N-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 59238916) has the molecular formula C21H14F5N3O3S and a molecular weight of 483.42 g/mol. Its IUPAC name is N-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID59238916
Molecular FormulaC21H14F5N3O3S
Molecular Weight483.42 g/mol
Exact Mass483.07
IUPAC NameN-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]-1,1,1-trifluoromethanesulfonamide
SMILESO=S(=O)(NCCOc1c2[nH]c3ccc(F)cc3c2cc2c1[nH]c1ccc(F)cc12)C(F)(F)F
InChIInChI=1S/C21H14F5N3O3S/c22-10-1-3-16-12(7-10)14-9-15-13-8-11(23)2-4-17(13)29-19(15)20(18(14)28-16)32-6-5-27-33(30,31)21(24,25)26/h1-4,7-9,27-29H,5-6H2
InChIKeyDRUMRUKJKDNPEJ-UHFFFAOYSA-N
XLogP5.05
TPSA86.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.42
LogP ≤ 55.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]-1,1,1-trifluoromethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]-1,1,1-trifluoromethanesulfonamide (CID 59238916) is N-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]-1,1,1-trifluoromethanesulfonamide is O=S(=O)(NCCOc1c2[nH]c3ccc(F)cc3c2cc2c1[nH]c1ccc(F)cc12)C(F)(F)F.
What is the InChIKey of N-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is DRUMRUKJKDNPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F5N3O3S/c22-10-1-3-16-12(7-10)14-9-15-13-8-11(23)2-4-17(13)29-19(15)20(18(14)28-16)32-6-5-27-33(30,31)21(24,25)26/h1-4,7-9,27-29H,5-6H2.
What are the key properties of N-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]-1,1,1-trifluoromethanesulfonamide?
N-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 483.42 g/mol, XLogP of 5.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,10-difluoro-5,7-dihydroindolo[2,3-b]carbazol-6-yl)oxy]ethyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 59238916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).