2,4,6-trimethyl-N-[(2S)-1-[(1-phenylindazol-4-yl)amino]propan-2-yl]benzenesulfonamide

C25H28N4O2S — CID 16666472

IUPAC2,4,6-trimethyl-N-[(2S)-1-[(1-phenylindazol-4-yl)amino]propan-2-yl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N[C@@H](C)CNc2cccc3c2cnn3-c2ccccc2)c(C)c1
InChIInChI=1S/C25H28N4O2S/c1-17-13-18(2)25(19(3)14-17)32(30,31)28-20(4)15-26-23-11-8-12-24-22(23)16-27-29(24)21-9-6-5-7-10-21/h5-14,16,20,26,28H,15H2,1-4H3/t20-/m0/s1
InChIKeyAGWBORIZLLWBNO-FQEVSTJZSA-N
MW448.59 g/mol
LogP4.73
Rot. Bonds7

About 2,4,6-trimethyl-N-[(2S)-1-[(1-phenylindazol-4-yl)amino]propan-2-yl]benzenesulfonamide

2,4,6-trimethyl-N-[(2S)-1-[(1-phenylindazol-4-yl)amino]propan-2-yl]benzenesulfonamide (PubChem CID 16666472) has the molecular formula C25H28N4O2S and a molecular weight of 448.59 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[(2S)-1-[(1-phenylindazol-4-yl)amino]propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[(2S)-1-[(1-phenylindazol-4-yl)amino]propan-2-yl]benzenesulfonamide
PubChem CID16666472
Molecular FormulaC25H28N4O2S
Molecular Weight448.59 g/mol
Exact Mass448.19
IUPAC Name2,4,6-trimethyl-N-[(2S)-1-[(1-phenylindazol-4-yl)amino]propan-2-yl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N[C@@H](C)CNc2cccc3c2cnn3-c2ccccc2)c(C)c1
InChIInChI=1S/C25H28N4O2S/c1-17-13-18(2)25(19(3)14-17)32(30,31)28-20(4)15-26-23-11-8-12-24-22(23)16-27-29(24)21-9-6-5-7-10-21/h5-14,16,20,26,28H,15H2,1-4H3/t20-/m0/s1
InChIKeyAGWBORIZLLWBNO-FQEVSTJZSA-N
XLogP4.73
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,4,6-trimethyl-N-[(2S)-1-[(1-phenylindazol-4-yl)amino]propan-2-yl]benzenesulfonamide 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 2,4,6-trimethyl-N-[(2S)-1-[(1-phenylindazol-4-yl)amino]propan-2-yl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[(2S)-1-[(1-phenylindazol-4-yl)amino]propan-2-yl]benzenesulfonamide (CID 16666472) is 2,4,6-trimethyl-N-[(2S)-1-[(1-phenylindazol-4-yl)amino]propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[(2S)-1-[(1-phenylindazol-4-yl)amino]propan-2-yl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[(2S)-1-[(1-phenylindazol-4-yl)amino]propan-2-yl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CNc2cccc3c2cnn3-c2ccccc2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[(2S)-1-[(1-phenylindazol-4-yl)amino]propan-2-yl]benzenesulfonamide?
The InChIKey is AGWBORIZLLWBNO-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H28N4O2S/c1-17-13-18(2)25(19(3)14-17)32(30,31)28-20(4)15-26-23-11-8-12-24-22(23)16-27-29(24)21-9-6-5-7-10-21/h5-14,16,20,26,28H,15H2,1-4H3/t20-/m0/s1.
What are the key properties of 2,4,6-trimethyl-N-[(2S)-1-[(1-phenylindazol-4-yl)amino]propan-2-yl]benzenesulfonamide?
2,4,6-trimethyl-N-[(2S)-1-[(1-phenylindazol-4-yl)amino]propan-2-yl]benzenesulfonamide has a molecular weight of 448.59 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[(2S)-1-[(1-phenylindazol-4-yl)amino]propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 16666472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).