N-(2,4-dimethylphenyl)-N-(2-methylpropyl)-1-(oxan-4-ylmethyl)indazole-5-sulfonamide

C25H33N3O3S — CID 121421719

IUPACN-(2,4-dimethylphenyl)-N-(2-methylpropyl)-1-(oxan-4-ylmethyl)indazole-5-sulfonamide
SMILESCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(cnn3CC3CCOCC3)c2)c(C)c1
InChIInChI=1S/C25H33N3O3S/c1-18(2)16-28(24-7-5-19(3)13-20(24)4)32(29,30)23-6-8-25-22(14-23)15-26-27(25)17-21-9-11-31-12-10-21/h5-8,13-15,18,21H,9-12,16-17H2,1-4H3
InChIKeyDTZPDFJNIMTBKA-UHFFFAOYSA-N
MW455.62 g/mol
LogP4.93
Rot. Bonds7

About N-(2,4-dimethylphenyl)-N-(2-methylpropyl)-1-(oxan-4-ylmethyl)indazole-5-sulfonamide

N-(2,4-dimethylphenyl)-N-(2-methylpropyl)-1-(oxan-4-ylmethyl)indazole-5-sulfonamide (PubChem CID 121421719) has the molecular formula C25H33N3O3S and a molecular weight of 455.62 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-N-(2-methylpropyl)-1-(oxan-4-ylmethyl)indazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-N-(2-methylpropyl)-1-(oxan-4-ylmethyl)indazole-5-sulfonamide
PubChem CID121421719
Molecular FormulaC25H33N3O3S
Molecular Weight455.62 g/mol
Exact Mass455.22
IUPAC NameN-(2,4-dimethylphenyl)-N-(2-methylpropyl)-1-(oxan-4-ylmethyl)indazole-5-sulfonamide
SMILESCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(cnn3CC3CCOCC3)c2)c(C)c1
InChIInChI=1S/C25H33N3O3S/c1-18(2)16-28(24-7-5-19(3)13-20(24)4)32(29,30)23-6-8-25-22(14-23)15-26-27(25)17-21-9-11-31-12-10-21/h5-8,13-15,18,21H,9-12,16-17H2,1-4H3
InChIKeyDTZPDFJNIMTBKA-UHFFFAOYSA-N
XLogP4.93
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.62
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

chloromethane;bis(N-(2,4-dimethylphenyl)-N-(2-methylpropyl)-4-(oxan-4-ylmethoxy)benzenesulfonamide);isocyanomethane
CID 159531527
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-ethylphenyl)-N-(2-methylpropyl)indazole-5-sulfonamide;N-(4-ethylphenyl)-N,1-bis(oxan-4-ylmethyl)indazole-5-sulfonamide;N-(4-ethylphenyl)-1-(oxan-4-ylmethyl)-N-propylindazole-5-sulfonamide;N-(2-methylpropyl)-1-(oxan-4-ylmethyl)-N-(4-propan-2-ylphenyl)indazole-5-sulfonamide
CID 157472846
1-[(1-acetylpyrrolidin-3-yl)methyl]-N-(4-ethylphenyl)-N-(2-methylpropyl)indazole-5-sulfonamide
CID 121415690
N-(5-fluoro-2-methylphenyl)-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)indazole-5-sulfonamide
CID 121427227
N-[2-methyl-1-[1-(oxan-4-ylmethyl)indazol-5-yl]sulfonylpropyl]-4-(trifluoromethyl)aniline
CID 157337802
N-(2-methylpropyl)-2-(oxan-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]indazole-5-sulfonamide
CID 162575909
N-(2-fluoro-6-methylphenyl)-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)indazole-5-sulfonamide
CID 121427103
N-(2,4-dimethylphenyl)-4-[3-(hydroxymethyl)morpholin-4-yl]-N-(2-methylpropyl)benzenesulfonamide;formic acid
CID 157173428
2-bromo-5-[(2,4-dimethylphenyl)-(2-methylpropyl)sulfamoyl]benzenesulfonyl chloride
CID 121429334
N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(oxan-4-ylmethyl)-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 135134029
N-(2-methylpropyl)-2-(oxan-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]indazole-5-sulfonamide
CID 121427187
methyl 3-[(2,4-dimethylphenyl)-(2-methylpropyl)sulfamoyl]benzoate
CID 86731584

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-N-(2-methylpropyl)-1-(oxan-4-ylmethyl)indazole-5-sulfonamide?
The IUPAC name of N-(2,4-dimethylphenyl)-N-(2-methylpropyl)-1-(oxan-4-ylmethyl)indazole-5-sulfonamide (CID 121421719) is N-(2,4-dimethylphenyl)-N-(2-methylpropyl)-1-(oxan-4-ylmethyl)indazole-5-sulfonamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-N-(2-methylpropyl)-1-(oxan-4-ylmethyl)indazole-5-sulfonamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-N-(2-methylpropyl)-1-(oxan-4-ylmethyl)indazole-5-sulfonamide is Cc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(cnn3CC3CCOCC3)c2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-N-(2-methylpropyl)-1-(oxan-4-ylmethyl)indazole-5-sulfonamide?
The InChIKey is DTZPDFJNIMTBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3S/c1-18(2)16-28(24-7-5-19(3)13-20(24)4)32(29,30)23-6-8-25-22(14-23)15-26-27(25)17-21-9-11-31-12-10-21/h5-8,13-15,18,21H,9-12,16-17H2,1-4H3.
What are the key properties of N-(2,4-dimethylphenyl)-N-(2-methylpropyl)-1-(oxan-4-ylmethyl)indazole-5-sulfonamide?
N-(2,4-dimethylphenyl)-N-(2-methylpropyl)-1-(oxan-4-ylmethyl)indazole-5-sulfonamide has a molecular weight of 455.62 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-N-(2-methylpropyl)-1-(oxan-4-ylmethyl)indazole-5-sulfonamide is sourced from PubChem (CID 121421719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).