5-[6-chloro-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol

C18H17ClF2N4O3S — CID 163233870

IUPAC5-[6-chloro-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol
SMILESCS(=O)(=O)N1CCN(c2cc3cnn(-c4cc(O)c(F)c(F)c4)c3cc2Cl)CC1
InChIInChI=1S/C18H17ClF2N4O3S/c1-29(27,28)24-4-2-23(3-5-24)16-6-11-10-22-25(15(11)9-13(16)19)12-7-14(20)18(21)17(26)8-12/h6-10,26H,2-5H2,1H3
InChIKeyZKSTXUWHEDHEGL-UHFFFAOYSA-N
MW442.88 g/mol
LogP2.74
Rot. Bonds3

About 5-[6-chloro-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol

5-[6-chloro-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol (PubChem CID 163233870) has the molecular formula C18H17ClF2N4O3S and a molecular weight of 442.88 g/mol. Its IUPAC name is 5-[6-chloro-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol.

Molecular Properties

Compound Name5-[6-chloro-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol
PubChem CID163233870
Molecular FormulaC18H17ClF2N4O3S
Molecular Weight442.88 g/mol
Exact Mass442.07
IUPAC Name5-[6-chloro-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol
SMILESCS(=O)(=O)N1CCN(c2cc3cnn(-c4cc(O)c(F)c(F)c4)c3cc2Cl)CC1
InChIInChI=1S/C18H17ClF2N4O3S/c1-29(27,28)24-4-2-23(3-5-24)16-6-11-10-22-25(15(11)9-13(16)19)12-7-14(20)18(21)17(26)8-12/h6-10,26H,2-5H2,1H3
InChIKeyZKSTXUWHEDHEGL-UHFFFAOYSA-N
XLogP2.74
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.88
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[6-chloro-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol 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

2,3-difluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)indazol-1-yl]phenol
CID 163234114
2-chloro-3-fluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-1-yl]phenol
CID 163234389
2,3-difluoro-5-[5-(4-propan-2-ylsulfonylpiperazin-1-yl)indazol-1-yl]phenol
CID 170685660
5-[6-chloro-5-(2-chloro-4-hydroxyphenyl)indazol-1-yl]-2,3-difluorophenol
CID 163233880
2-fluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[4,3-d]pyrimidin-1-yl]-3-(trifluoromethyl)phenol
CID 163233885
5,7-difluoro-1-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]indazol-6-ol
CID 163233481
2-chloro-3-fluoro-5-[5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-2-yl]phenol
CID 163234422
1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-5-(4-methylsulfonylpiperazin-1-yl)indazole
CID 163234279
1-(4-fluoro-3-hydroxyphenyl)-5-(4-methylsulfonylpiperazin-1-yl)indole-2-carboxylic acid
CID 170685667
N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-4-yl]methanesulfonamide
CID 166916424
5-[3-cyclopropyl-5-(4-methylsulfonylpiperazin-1-yl)pyrazolo[3,4-c]pyridin-1-yl]-2-fluoro-3-(trifluoromethyl)phenol
CID 163234247
1-[3,4-difluoro-5-(methoxymethoxy)phenyl]-5-piperidin-1-ylsulfonylindazole
CID 163234009

Frequently Asked Questions

What is the IUPAC name of 5-[6-chloro-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol?
The IUPAC name of 5-[6-chloro-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol (CID 163233870) is 5-[6-chloro-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol.
What is the SMILES notation for 5-[6-chloro-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol?
The canonical SMILES for 5-[6-chloro-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol is CS(=O)(=O)N1CCN(c2cc3cnn(-c4cc(O)c(F)c(F)c4)c3cc2Cl)CC1.
What is the InChIKey of 5-[6-chloro-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol?
The InChIKey is ZKSTXUWHEDHEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N4O3S/c1-29(27,28)24-4-2-23(3-5-24)16-6-11-10-22-25(15(11)9-13(16)19)12-7-14(20)18(21)17(26)8-12/h6-10,26H,2-5H2,1H3.
What are the key properties of 5-[6-chloro-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol?
5-[6-chloro-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol has a molecular weight of 442.88 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-chloro-5-(4-methylsulfonylpiperazin-1-yl)indazol-1-yl]-2,3-difluorophenol is sourced from PubChem (CID 163233870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).