[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-(1H-indazol-3-yl)methanone

C22H26N4O3S — CID 26677296

IUPAC[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-(1H-indazol-3-yl)methanone
SMILESCC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3n[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C22H26N4O3S/c1-3-16(2)17-8-10-18(11-9-17)30(28,29)26-14-12-25(13-15-26)22(27)21-19-6-4-5-7-20(19)23-24-21/h4-11,16H,3,12-15H2,1-2H3,(H,23,24)/t16-/m0/s1
InChIKeyGWJFYNGHZDDJKN-INIZCTEOSA-N
MW426.54 g/mol
LogP3.22
Rot. Bonds5

About [4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-(1H-indazol-3-yl)methanone

[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-(1H-indazol-3-yl)methanone (PubChem CID 26677296) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is [4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-(1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-(1H-indazol-3-yl)methanone
PubChem CID26677296
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC Name[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-(1H-indazol-3-yl)methanone
SMILESCC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3n[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C22H26N4O3S/c1-3-16(2)17-8-10-18(11-9-17)30(28,29)26-14-12-25(13-15-26)22(27)21-19-6-4-5-7-20(19)23-24-21/h4-11,16H,3,12-15H2,1-2H3,(H,23,24)/t16-/m0/s1
InChIKeyGWJFYNGHZDDJKN-INIZCTEOSA-N
XLogP3.22
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-(1H-indazol-3-yl)methanone with MolForge

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Related Compounds

[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone
CID 43011160
[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 42905627
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 26558621
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 7944164
[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51146569
[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(2,5-difluorophenyl)methanone
CID 43022485
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 78858955
[2-[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-2-oxoethyl] 2-methoxyacetate
CID 9230162
1-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone
CID 51224909
(2S)-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-2-methylsulfanylpropan-1-one
CID 95295053
4-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 170858451

Frequently Asked Questions

What is the IUPAC name of [4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-(1H-indazol-3-yl)methanone?
The IUPAC name of [4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-(1H-indazol-3-yl)methanone (CID 26677296) is [4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-(1H-indazol-3-yl)methanone.
What is the SMILES notation for [4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-(1H-indazol-3-yl)methanone?
The canonical SMILES for [4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-(1H-indazol-3-yl)methanone is CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3n[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of [4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-(1H-indazol-3-yl)methanone?
The InChIKey is GWJFYNGHZDDJKN-INIZCTEOSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-3-16(2)17-8-10-18(11-9-17)30(28,29)26-14-12-25(13-15-26)22(27)21-19-6-4-5-7-20(19)23-24-21/h4-11,16H,3,12-15H2,1-2H3,(H,23,24)/t16-/m0/s1.
What are the key properties of [4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-(1H-indazol-3-yl)methanone?
[4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-(1H-indazol-3-yl)methanone has a molecular weight of 426.54 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(2S)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-(1H-indazol-3-yl)methanone is sourced from PubChem (CID 26677296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).