1-(benzenesulfonyl)-6-fluoro-3-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]indole

C23H24FN5O2S — CID 118060095

IUPAC1-(benzenesulfonyl)-6-fluoro-3-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]indole
SMILESO=S(=O)(c1ccccc1)n1cc(-c2cnn(CCN3CCNCC3)c2)c2ccc(F)cc21
InChIInChI=1S/C23H24FN5O2S/c24-19-6-7-21-22(18-15-26-28(16-18)13-12-27-10-8-25-9-11-27)17-29(23(21)14-19)32(30,31)20-4-2-1-3-5-20/h1-7,14-17,25H,8-13H2
InChIKeyUUJMTWSCBLAQBL-UHFFFAOYSA-N
MW453.54 g/mol
LogP2.79
Rot. Bonds6

About 1-(benzenesulfonyl)-6-fluoro-3-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]indole

1-(benzenesulfonyl)-6-fluoro-3-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]indole (PubChem CID 118060095) has the molecular formula C23H24FN5O2S and a molecular weight of 453.54 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-6-fluoro-3-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]indole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-6-fluoro-3-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]indole
PubChem CID118060095
Molecular FormulaC23H24FN5O2S
Molecular Weight453.54 g/mol
Exact Mass453.16
IUPAC Name1-(benzenesulfonyl)-6-fluoro-3-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]indole
SMILESO=S(=O)(c1ccccc1)n1cc(-c2cnn(CCN3CCNCC3)c2)c2ccc(F)cc21
InChIInChI=1S/C23H24FN5O2S/c24-19-6-7-21-22(18-15-26-28(16-18)13-12-27-10-8-25-9-11-27)17-29(23(21)14-19)32(30,31)20-4-2-1-3-5-20/h1-7,14-17,25H,8-13H2
InChIKeyUUJMTWSCBLAQBL-UHFFFAOYSA-N
XLogP2.79
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-Benzenesulfonyl-3-piperidin-3-yl-1H-indole
CID 9902533
1-(Phenylsulfonyl)-4-(1-piperazinyl)-1h-indole
CID 10154392
N-[(2s)-1-[[1-(4-Fluorophenyl)indazol-4-Yl]amino]propan-2-Yl]-2,4,6-Trimethyl-Benzenesulfonamide
CID 16666386
2-[1-(benzenesulfonyl)-1H-indol-3-yl]ethan-1-amine
CID 21071574
1-Benzenesulfonyl-3-piperidin-4-yl-1H-indole
CID 44388931
1-(Benzenesulfonyl)-4-piperazin-1-ylindazole
CID 9840981
1-(4-Fluoro-benzenesulfonyl)-3-(1-methyl-pyrrolidin-3-yl)-1H-indole
CID 9924959
4-(4-Methyl-1-piperazinyl)-1-(phenylsulfonyl)-1H-indole
CID 10108884
4-[3-(1-Benzyl-pyrrolidin-3-yl)-indole-1-sulfonyl]-phenylamine
CID 10274389
4-[3-(1,2,3,6-Tetrahydro-pyridin-4-yl)-indole-1-sulfonyl]-phenylamine
CID 11739679
1-(4-Fluorobenzenesulfonyl)-3-(4-methylpiperazin-1-yl)-1h-indole
CID 23624297
1H-Indole, 1-[[4-(1-methylethyl)phenyl]sulfonyl]-3-(4-methyl-1-piperazinyl)-
CID 23653135

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-6-fluoro-3-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]indole?
The IUPAC name of 1-(benzenesulfonyl)-6-fluoro-3-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]indole (CID 118060095) is 1-(benzenesulfonyl)-6-fluoro-3-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]indole.
What is the SMILES notation for 1-(benzenesulfonyl)-6-fluoro-3-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]indole?
The canonical SMILES for 1-(benzenesulfonyl)-6-fluoro-3-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]indole is O=S(=O)(c1ccccc1)n1cc(-c2cnn(CCN3CCNCC3)c2)c2ccc(F)cc21.
What is the InChIKey of 1-(benzenesulfonyl)-6-fluoro-3-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]indole?
The InChIKey is UUJMTWSCBLAQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2S/c24-19-6-7-21-22(18-15-26-28(16-18)13-12-27-10-8-25-9-11-27)17-29(23(21)14-19)32(30,31)20-4-2-1-3-5-20/h1-7,14-17,25H,8-13H2.
What are the key properties of 1-(benzenesulfonyl)-6-fluoro-3-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]indole?
1-(benzenesulfonyl)-6-fluoro-3-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]indole has a molecular weight of 453.54 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-6-fluoro-3-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]indole is sourced from PubChem (CID 118060095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).