1H-indol-2-yl-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone

C21H21N3O3S — CID 9326935

IUPAC1H-indol-2-yl-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C21H21N3O3S/c25-21(20-16-18-8-4-5-9-19(18)22-20)23-11-13-24(14-12-23)28(26,27)15-10-17-6-2-1-3-7-17/h1-10,15-16,22H,11-14H2/b15-10+
InChIKeyCNQLCMSLYNBCIX-XNTDXEJSSA-N
MW395.48 g/mol
LogP2.93
Rot. Bonds4

About 1H-indol-2-yl-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone

1H-indol-2-yl-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone (PubChem CID 9326935) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 1H-indol-2-yl-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-2-yl-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
PubChem CID9326935
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name1H-indol-2-yl-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C21H21N3O3S/c25-21(20-16-18-8-4-5-9-19(18)22-20)23-11-13-24(14-12-23)28(26,27)15-10-17-6-2-1-3-7-17/h1-10,15-16,22H,11-14H2/b15-10+
InChIKeyCNQLCMSLYNBCIX-XNTDXEJSSA-N
XLogP2.93
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone?
The IUPAC name of 1H-indol-2-yl-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone (CID 9326935) is 1H-indol-2-yl-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for 1H-indol-2-yl-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for 1H-indol-2-yl-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone is O=C(c1cc2ccccc2[nH]1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of 1H-indol-2-yl-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone?
The InChIKey is CNQLCMSLYNBCIX-XNTDXEJSSA-N. The full InChI is InChI=1S/C21H21N3O3S/c25-21(20-16-18-8-4-5-9-19(18)22-20)23-11-13-24(14-12-23)28(26,27)15-10-17-6-2-1-3-7-17/h1-10,15-16,22H,11-14H2/b15-10+.
What are the key properties of 1H-indol-2-yl-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone?
1H-indol-2-yl-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone has a molecular weight of 395.48 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 9326935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).