N-[(2S)-1-[[1-(3-methoxyphenyl)-6-methylindazol-4-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide

C27H32N4O3S — CID 53323257

IUPACN-[(2S)-1-[[1-(3-methoxyphenyl)-6-methylindazol-4-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide
SMILESCOc1cccc(-n2ncc3c(NC[C@H](C)NS(=O)(=O)c4c(C)cc(C)cc4C)cc(C)cc32)c1
InChIInChI=1S/C27H32N4O3S/c1-17-10-19(3)27(20(4)11-17)35(32,33)30-21(5)15-28-25-12-18(2)13-26-24(25)16-29-31(26)22-8-7-9-23(14-22)34-6/h7-14,16,21,28,30H,15H2,1-6H3/t21-/m0/s1
InChIKeyKSAMQGLGBQWLFL-NRFANRHFSA-N
MW492.65 g/mol
LogP5.05
Rot. Bonds8

About N-[(2S)-1-[[1-(3-methoxyphenyl)-6-methylindazol-4-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide

N-[(2S)-1-[[1-(3-methoxyphenyl)-6-methylindazol-4-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 53323257) has the molecular formula C27H32N4O3S and a molecular weight of 492.65 g/mol. Its IUPAC name is N-[(2S)-1-[[1-(3-methoxyphenyl)-6-methylindazol-4-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-[[1-(3-methoxyphenyl)-6-methylindazol-4-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID53323257
Molecular FormulaC27H32N4O3S
Molecular Weight492.65 g/mol
Exact Mass492.22
IUPAC NameN-[(2S)-1-[[1-(3-methoxyphenyl)-6-methylindazol-4-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide
SMILESCOc1cccc(-n2ncc3c(NC[C@H](C)NS(=O)(=O)c4c(C)cc(C)cc4C)cc(C)cc32)c1
InChIInChI=1S/C27H32N4O3S/c1-17-10-19(3)27(20(4)11-17)35(32,33)30-21(5)15-28-25-12-18(2)13-26-24(25)16-29-31(26)22-8-7-9-23(14-22)34-6/h7-14,16,21,28,30H,15H2,1-6H3/t21-/m0/s1
InChIKeyKSAMQGLGBQWLFL-NRFANRHFSA-N
XLogP5.05
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.65
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-1-[[1-(3-methoxyphenyl)-6-methylindazol-4-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide 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-[(2S)-1-[[1-(3-methoxyphenyl)-6-methylindazol-4-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[(2S)-1-[[1-(3-methoxyphenyl)-6-methylindazol-4-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide (CID 53323257) is N-[(2S)-1-[[1-(3-methoxyphenyl)-6-methylindazol-4-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[(2S)-1-[[1-(3-methoxyphenyl)-6-methylindazol-4-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[(2S)-1-[[1-(3-methoxyphenyl)-6-methylindazol-4-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide is COc1cccc(-n2ncc3c(NC[C@H](C)NS(=O)(=O)c4c(C)cc(C)cc4C)cc(C)cc32)c1.
What is the InChIKey of N-[(2S)-1-[[1-(3-methoxyphenyl)-6-methylindazol-4-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is KSAMQGLGBQWLFL-NRFANRHFSA-N. The full InChI is InChI=1S/C27H32N4O3S/c1-17-10-19(3)27(20(4)11-17)35(32,33)30-21(5)15-28-25-12-18(2)13-26-24(25)16-29-31(26)22-8-7-9-23(14-22)34-6/h7-14,16,21,28,30H,15H2,1-6H3/t21-/m0/s1.
What are the key properties of N-[(2S)-1-[[1-(3-methoxyphenyl)-6-methylindazol-4-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide?
N-[(2S)-1-[[1-(3-methoxyphenyl)-6-methylindazol-4-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 492.65 g/mol, XLogP of 5.05, 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-(3-methoxyphenyl)-6-methylindazol-4-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 53323257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).