N-[5-[(4,5-diamino-1-methylimidazol-2-yl)diazenyl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-1,1,1-trifluoromethanesulfonamide

C17H23F3N8O2S — CID 136502253

IUPACN-[5-[(4,5-diamino-1-methylimidazol-2-yl)diazenyl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-1,1,1-trifluoromethanesulfonamide
SMILESCC1N(C)c2cc(NS(=O)(=O)C(F)(F)F)c(/N=N/c3nc(N)c(N)n3C)cc2C1(C)C
InChIInChI=1S/C17H23F3N8O2S/c1-8-16(2,3)9-6-10(24-25-15-23-13(21)14(22)28(15)5)11(7-12(9)27(8)4)26-31(29,30)17(18,19)20/h6-8,26H,21-22H2,1-5H3/b25-24+
InChIKeyRTCDLOGMPKDVHI-OCOZRVBESA-N
MW460.49 g/mol
LogP3.38
Rot. Bonds4

About N-[5-[(4,5-diamino-1-methylimidazol-2-yl)diazenyl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-1,1,1-trifluoromethanesulfonamide

N-[5-[(4,5-diamino-1-methylimidazol-2-yl)diazenyl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 136502253) has the molecular formula C17H23F3N8O2S and a molecular weight of 460.49 g/mol. Its IUPAC name is N-[5-[(4,5-diamino-1-methylimidazol-2-yl)diazenyl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[5-[(4,5-diamino-1-methylimidazol-2-yl)diazenyl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-1,1,1-trifluoromethanesulfonamide
PubChem CID136502253
Molecular FormulaC17H23F3N8O2S
Molecular Weight460.49 g/mol
Exact Mass460.16
IUPAC NameN-[5-[(4,5-diamino-1-methylimidazol-2-yl)diazenyl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-1,1,1-trifluoromethanesulfonamide
SMILESCC1N(C)c2cc(NS(=O)(=O)C(F)(F)F)c(/N=N/c3nc(N)c(N)n3C)cc2C1(C)C
InChIInChI=1S/C17H23F3N8O2S/c1-8-16(2,3)9-6-10(24-25-15-23-13(21)14(22)28(15)5)11(7-12(9)27(8)4)26-31(29,30)17(18,19)20/h6-8,26H,21-22H2,1-5H3/b25-24+
InChIKeyRTCDLOGMPKDVHI-OCOZRVBESA-N
XLogP3.38
TPSA143.99 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4,5-diamino-1-methylimidazol-2-yl)diazenyl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[5-[(4,5-diamino-1-methylimidazol-2-yl)diazenyl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-1,1,1-trifluoromethanesulfonamide (CID 136502253) is N-[5-[(4,5-diamino-1-methylimidazol-2-yl)diazenyl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[5-[(4,5-diamino-1-methylimidazol-2-yl)diazenyl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[5-[(4,5-diamino-1-methylimidazol-2-yl)diazenyl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-1,1,1-trifluoromethanesulfonamide is CC1N(C)c2cc(NS(=O)(=O)C(F)(F)F)c(/N=N/c3nc(N)c(N)n3C)cc2C1(C)C.
What is the InChIKey of N-[5-[(4,5-diamino-1-methylimidazol-2-yl)diazenyl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is RTCDLOGMPKDVHI-OCOZRVBESA-N. The full InChI is InChI=1S/C17H23F3N8O2S/c1-8-16(2,3)9-6-10(24-25-15-23-13(21)14(22)28(15)5)11(7-12(9)27(8)4)26-31(29,30)17(18,19)20/h6-8,26H,21-22H2,1-5H3/b25-24+.
What are the key properties of N-[5-[(4,5-diamino-1-methylimidazol-2-yl)diazenyl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-1,1,1-trifluoromethanesulfonamide?
N-[5-[(4,5-diamino-1-methylimidazol-2-yl)diazenyl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 460.49 g/mol, XLogP of 3.38, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4,5-diamino-1-methylimidazol-2-yl)diazenyl]-1,2,3,3-tetramethyl-2H-indol-6-yl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 136502253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).