N-[(2S)-1-[[1-(4-methoxyphenyl)indazol-4-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide

C26H30N4O3S — CID 16666470

IUPACN-[(2S)-1-[[1-(4-methoxyphenyl)indazol-4-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide
SMILESCOc1ccc(-n2ncc3c(NC[C@H](C)NS(=O)(=O)c4c(C)cc(C)cc4C)cccc32)cc1
InChIInChI=1S/C26H30N4O3S/c1-17-13-18(2)26(19(3)14-17)34(31,32)29-20(4)15-27-24-7-6-8-25-23(24)16-28-30(25)21-9-11-22(33-5)12-10-21/h6-14,16,20,27,29H,15H2,1-5H3/t20-/m0/s1
InChIKeyNVIAGCNCVHASTJ-FQEVSTJZSA-N
MW478.62 g/mol
LogP4.74
Rot. Bonds8

About N-[(2S)-1-[[1-(4-methoxyphenyl)indazol-4-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide

N-[(2S)-1-[[1-(4-methoxyphenyl)indazol-4-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 16666470) has the molecular formula C26H30N4O3S and a molecular weight of 478.62 g/mol. Its IUPAC name is N-[(2S)-1-[[1-(4-methoxyphenyl)indazol-4-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-[[1-(4-methoxyphenyl)indazol-4-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID16666470
Molecular FormulaC26H30N4O3S
Molecular Weight478.62 g/mol
Exact Mass478.20
IUPAC NameN-[(2S)-1-[[1-(4-methoxyphenyl)indazol-4-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide
SMILESCOc1ccc(-n2ncc3c(NC[C@H](C)NS(=O)(=O)c4c(C)cc(C)cc4C)cccc32)cc1
InChIInChI=1S/C26H30N4O3S/c1-17-13-18(2)26(19(3)14-17)34(31,32)29-20(4)15-27-24-7-6-8-25-23(24)16-28-30(25)21-9-11-22(33-5)12-10-21/h6-14,16,20,27,29H,15H2,1-5H3/t20-/m0/s1
InChIKeyNVIAGCNCVHASTJ-FQEVSTJZSA-N
XLogP4.74
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[1-(4-methoxyphenyl)indazol-4-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[(2S)-1-[[1-(4-methoxyphenyl)indazol-4-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide (CID 16666470) is N-[(2S)-1-[[1-(4-methoxyphenyl)indazol-4-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[(2S)-1-[[1-(4-methoxyphenyl)indazol-4-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[(2S)-1-[[1-(4-methoxyphenyl)indazol-4-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide is COc1ccc(-n2ncc3c(NC[C@H](C)NS(=O)(=O)c4c(C)cc(C)cc4C)cccc32)cc1.
What is the InChIKey of N-[(2S)-1-[[1-(4-methoxyphenyl)indazol-4-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is NVIAGCNCVHASTJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H30N4O3S/c1-17-13-18(2)26(19(3)14-17)34(31,32)29-20(4)15-27-24-7-6-8-25-23(24)16-28-30(25)21-9-11-22(33-5)12-10-21/h6-14,16,20,27,29H,15H2,1-5H3/t20-/m0/s1.
What are the key properties of N-[(2S)-1-[[1-(4-methoxyphenyl)indazol-4-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
N-[(2S)-1-[[1-(4-methoxyphenyl)indazol-4-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 478.62 g/mol, XLogP of 4.74, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[1-(4-methoxyphenyl)indazol-4-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 16666470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).