[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(1-methylindol-3-yl)methanone

C20H19F2N3O3S — CID 26418819

IUPAC[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(1-methylindol-3-yl)methanone
SMILESCn1cc(C(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)c2ccccc21
InChIInChI=1S/C20H19F2N3O3S/c1-23-13-16(15-4-2-3-5-18(15)23)20(26)24-8-10-25(11-9-24)29(27,28)19-12-14(21)6-7-17(19)22/h2-7,12-13H,8-11H2,1H3
InChIKeyUDZZPGUCSRFVCP-UHFFFAOYSA-N
MW419.45 g/mol
LogP2.60
Rot. Bonds3

About [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(1-methylindol-3-yl)methanone

[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(1-methylindol-3-yl)methanone (PubChem CID 26418819) has the molecular formula C20H19F2N3O3S and a molecular weight of 419.45 g/mol. Its IUPAC name is [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(1-methylindol-3-yl)methanone.

Molecular Properties

Compound Name[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(1-methylindol-3-yl)methanone
PubChem CID26418819
Molecular FormulaC20H19F2N3O3S
Molecular Weight419.45 g/mol
Exact Mass419.11
IUPAC Name[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(1-methylindol-3-yl)methanone
SMILESCn1cc(C(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)c2ccccc21
InChIInChI=1S/C20H19F2N3O3S/c1-23-13-16(15-4-2-3-5-18(15)23)20(26)24-8-10-25(11-9-24)29(27,28)19-12-14(21)6-7-17(19)22/h2-7,12-13H,8-11H2,1H3
InChIKeyUDZZPGUCSRFVCP-UHFFFAOYSA-N
XLogP2.60
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(1-methylindol-3-yl)methanone?
The IUPAC name of [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(1-methylindol-3-yl)methanone (CID 26418819) is [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(1-methylindol-3-yl)methanone.
What is the SMILES notation for [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(1-methylindol-3-yl)methanone?
The canonical SMILES for [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(1-methylindol-3-yl)methanone is Cn1cc(C(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)c2ccccc21.
What is the InChIKey of [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(1-methylindol-3-yl)methanone?
The InChIKey is UDZZPGUCSRFVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O3S/c1-23-13-16(15-4-2-3-5-18(15)23)20(26)24-8-10-25(11-9-24)29(27,28)19-12-14(21)6-7-17(19)22/h2-7,12-13H,8-11H2,1H3.
What are the key properties of [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(1-methylindol-3-yl)methanone?
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(1-methylindol-3-yl)methanone has a molecular weight of 419.45 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(1-methylindol-3-yl)methanone is sourced from PubChem (CID 26418819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).