3-(2,4-difluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-2H-indazole

C18H18F2N4O2S — CID 141167862

IUPAC3-(2,4-difluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-2H-indazole
SMILESCN1CCN(c2ccc3n[nH]c(S(=O)(=O)c4ccc(F)cc4F)c3c2)CC1
InChIInChI=1S/C18H18F2N4O2S/c1-23-6-8-24(9-7-23)13-3-4-16-14(11-13)18(22-21-16)27(25,26)17-5-2-12(19)10-15(17)20/h2-5,10-11H,6-9H2,1H3,(H,21,22)
InChIKeyKUSAPNURQTYIIW-UHFFFAOYSA-N
MW392.43 g/mol
LogP2.43
Rot. Bonds3

About 3-(2,4-difluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-2H-indazole

3-(2,4-difluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-2H-indazole (PubChem CID 141167862) has the molecular formula C18H18F2N4O2S and a molecular weight of 392.43 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-2H-indazole.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-2H-indazole
PubChem CID141167862
Molecular FormulaC18H18F2N4O2S
Molecular Weight392.43 g/mol
Exact Mass392.11
IUPAC Name3-(2,4-difluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-2H-indazole
SMILESCN1CCN(c2ccc3n[nH]c(S(=O)(=O)c4ccc(F)cc4F)c3c2)CC1
InChIInChI=1S/C18H18F2N4O2S/c1-23-6-8-24(9-7-23)13-3-4-16-14(11-13)18(22-21-16)27(25,26)17-5-2-12(19)10-15(17)20/h2-5,10-11H,6-9H2,1H3,(H,21,22)
InChIKeyKUSAPNURQTYIIW-UHFFFAOYSA-N
XLogP2.43
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2,4-difluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-2H-indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2H-indazole
CID 10383646
2-(4-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)aniline
CID 10269278
1-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperazine
CID 141044251
N-[2-(3-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 18508923
2-(3,5-difluorophenyl)sulfonyl-N-methyl-5-(4-methylpiperazin-1-yl)aniline
CID 18508888
5-[2-(2,4-difluorophenyl)sulfonylethenyl]-4-N-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 121301818
4-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56699842
1-benzyl-4-(4-nitrophenyl)piperazine;5-(4-benzylpiperazin-1-yl)-3-(3-fluorophenyl)sulfonyl-2H-indazole;1-fluoro-3-methylbenzene;methane;hydrochloride
CID 159153511
5-(4-fluorophenyl)sulfonyl-3-(1-methylpiperidin-4-yl)-2H-indazole
CID 24763353
2-(3-fluorophenyl)sulfonyl-5-(4-methyl-1,4-diazepan-1-yl)-N-propylaniline
CID 18508938
N-ethyl-N-[2-(4-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 18508984
N-[5-chloro-6-[3-(4-methylpiperazin-1-yl)phenoxy]-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 66884965

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-2H-indazole?
The IUPAC name of 3-(2,4-difluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-2H-indazole (CID 141167862) is 3-(2,4-difluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-2H-indazole.
What is the SMILES notation for 3-(2,4-difluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-2H-indazole?
The canonical SMILES for 3-(2,4-difluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-2H-indazole is CN1CCN(c2ccc3n[nH]c(S(=O)(=O)c4ccc(F)cc4F)c3c2)CC1.
What is the InChIKey of 3-(2,4-difluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-2H-indazole?
The InChIKey is KUSAPNURQTYIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O2S/c1-23-6-8-24(9-7-23)13-3-4-16-14(11-13)18(22-21-16)27(25,26)17-5-2-12(19)10-15(17)20/h2-5,10-11H,6-9H2,1H3,(H,21,22).
What are the key properties of 3-(2,4-difluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-2H-indazole?
3-(2,4-difluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-2H-indazole has a molecular weight of 392.43 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-2H-indazole is sourced from PubChem (CID 141167862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).