N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-(3-methylphenyl)benzenesulfonamide

C25H28N4O2S — CID 3006282

IUPACN-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(-c2cccc(S(=O)(=O)Nc3cc(NCC(C)C)c4n[nH]c(C)c4c3)c2)c1
InChIInChI=1S/C25H28N4O2S/c1-16(2)15-26-24-14-21(13-23-18(4)27-28-25(23)24)29-32(30,31)22-10-6-9-20(12-22)19-8-5-7-17(3)11-19/h5-14,16,26,29H,15H2,1-4H3,(H,27,28)
InChIKeyMPXLSSDXOMOHKZ-UHFFFAOYSA-N
MW448.59 g/mol
LogP5.72
Rot. Bonds7

About N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-(3-methylphenyl)benzenesulfonamide

N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-(3-methylphenyl)benzenesulfonamide (PubChem CID 3006282) has the molecular formula C25H28N4O2S and a molecular weight of 448.59 g/mol. Its IUPAC name is N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-(3-methylphenyl)benzenesulfonamide
PubChem CID3006282
Molecular FormulaC25H28N4O2S
Molecular Weight448.59 g/mol
Exact Mass448.19
IUPAC NameN-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(-c2cccc(S(=O)(=O)Nc3cc(NCC(C)C)c4n[nH]c(C)c4c3)c2)c1
InChIInChI=1S/C25H28N4O2S/c1-16(2)15-26-24-14-21(13-23-18(4)27-28-25(23)24)29-32(30,31)22-10-6-9-20(12-22)19-8-5-7-17(3)11-19/h5-14,16,26,29H,15H2,1-4H3,(H,27,28)
InChIKeyMPXLSSDXOMOHKZ-UHFFFAOYSA-N
XLogP5.72
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.59
LogP ≤ 55.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-(3-methylphenyl)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 N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-(3-methylphenyl)benzenesulfonamide (CID 3006282) is N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-(3-methylphenyl)benzenesulfonamide is Cc1cccc(-c2cccc(S(=O)(=O)Nc3cc(NCC(C)C)c4n[nH]c(C)c4c3)c2)c1.
What is the InChIKey of N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-(3-methylphenyl)benzenesulfonamide?
The InChIKey is MPXLSSDXOMOHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2S/c1-16(2)15-26-24-14-21(13-23-18(4)27-28-25(23)24)29-32(30,31)22-10-6-9-20(12-22)19-8-5-7-17(3)11-19/h5-14,16,26,29H,15H2,1-4H3,(H,27,28).
What are the key properties of N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-(3-methylphenyl)benzenesulfonamide?
N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-(3-methylphenyl)benzenesulfonamide has a molecular weight of 448.59 g/mol, XLogP of 5.72, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-7-(2-methylpropylamino)-2H-indazol-5-yl]-3-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 3006282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).