2,4,6-trimethyl-N-[(2S)-1-[(1-pyrimidin-5-ylindazol-4-yl)amino]propan-2-yl]benzenesulfonamide

C23H26N6O2S — CID 16665289

IUPAC2,4,6-trimethyl-N-[(2S)-1-[(1-pyrimidin-5-ylindazol-4-yl)amino]propan-2-yl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N[C@@H](C)CNc2cccc3c2cnn3-c2cncnc2)c(C)c1
InChIInChI=1S/C23H26N6O2S/c1-15-8-16(2)23(17(3)9-15)32(30,31)28-18(4)10-26-21-6-5-7-22-20(21)13-27-29(22)19-11-24-14-25-12-19/h5-9,11-14,18,26,28H,10H2,1-4H3/t18-/m0/s1
InChIKeyRDKUWKQHYBBWNX-SFHVURJKSA-N
MW450.57 g/mol
LogP3.52
Rot. Bonds7

About 2,4,6-trimethyl-N-[(2S)-1-[(1-pyrimidin-5-ylindazol-4-yl)amino]propan-2-yl]benzenesulfonamide

2,4,6-trimethyl-N-[(2S)-1-[(1-pyrimidin-5-ylindazol-4-yl)amino]propan-2-yl]benzenesulfonamide (PubChem CID 16665289) has the molecular formula C23H26N6O2S and a molecular weight of 450.57 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[(2S)-1-[(1-pyrimidin-5-ylindazol-4-yl)amino]propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[(2S)-1-[(1-pyrimidin-5-ylindazol-4-yl)amino]propan-2-yl]benzenesulfonamide
PubChem CID16665289
Molecular FormulaC23H26N6O2S
Molecular Weight450.57 g/mol
Exact Mass450.18
IUPAC Name2,4,6-trimethyl-N-[(2S)-1-[(1-pyrimidin-5-ylindazol-4-yl)amino]propan-2-yl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N[C@@H](C)CNc2cccc3c2cnn3-c2cncnc2)c(C)c1
InChIInChI=1S/C23H26N6O2S/c1-15-8-16(2)23(17(3)9-15)32(30,31)28-18(4)10-26-21-6-5-7-22-20(21)13-27-29(22)19-11-24-14-25-12-19/h5-9,11-14,18,26,28H,10H2,1-4H3/t18-/m0/s1
InChIKeyRDKUWKQHYBBWNX-SFHVURJKSA-N
XLogP3.52
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.57
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[(2S)-1-[(1-pyrimidin-5-ylindazol-4-yl)amino]propan-2-yl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[(2S)-1-[(1-pyrimidin-5-ylindazol-4-yl)amino]propan-2-yl]benzenesulfonamide (CID 16665289) is 2,4,6-trimethyl-N-[(2S)-1-[(1-pyrimidin-5-ylindazol-4-yl)amino]propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[(2S)-1-[(1-pyrimidin-5-ylindazol-4-yl)amino]propan-2-yl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[(2S)-1-[(1-pyrimidin-5-ylindazol-4-yl)amino]propan-2-yl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CNc2cccc3c2cnn3-c2cncnc2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[(2S)-1-[(1-pyrimidin-5-ylindazol-4-yl)amino]propan-2-yl]benzenesulfonamide?
The InChIKey is RDKUWKQHYBBWNX-SFHVURJKSA-N. The full InChI is InChI=1S/C23H26N6O2S/c1-15-8-16(2)23(17(3)9-15)32(30,31)28-18(4)10-26-21-6-5-7-22-20(21)13-27-29(22)19-11-24-14-25-12-19/h5-9,11-14,18,26,28H,10H2,1-4H3/t18-/m0/s1.
What are the key properties of 2,4,6-trimethyl-N-[(2S)-1-[(1-pyrimidin-5-ylindazol-4-yl)amino]propan-2-yl]benzenesulfonamide?
2,4,6-trimethyl-N-[(2S)-1-[(1-pyrimidin-5-ylindazol-4-yl)amino]propan-2-yl]benzenesulfonamide has a molecular weight of 450.57 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[(2S)-1-[(1-pyrimidin-5-ylindazol-4-yl)amino]propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 16665289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).