[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone

C25H24ClN3O4S — CID 2594952

IUPAC[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C25H24ClN3O4S/c26-20-10-9-19(17-24(20)34(32,33)29-12-11-18-5-1-2-6-21(18)29)25(31)28-15-13-27(14-16-28)22-7-3-4-8-23(22)30/h1-10,17,30H,11-16H2
InChIKeyGUYHPFWXOAUIFG-UHFFFAOYSA-N
MW498.00 g/mol
LogP3.76
Rot. Bonds4

About [4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone

[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone (PubChem CID 2594952) has the molecular formula C25H24ClN3O4S and a molecular weight of 498.00 g/mol. Its IUPAC name is [4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
PubChem CID2594952
Molecular FormulaC25H24ClN3O4S
Molecular Weight498.00 g/mol
Exact Mass497.12
IUPAC Name[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C25H24ClN3O4S/c26-20-10-9-19(17-24(20)34(32,33)29-12-11-18-5-1-2-6-21(18)29)25(31)28-15-13-27(14-16-28)22-7-3-4-8-23(22)30/h1-10,17,30H,11-16H2
InChIKeyGUYHPFWXOAUIFG-UHFFFAOYSA-N
XLogP3.76
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.00
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone (CID 2594952) is [4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone is O=C(c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of [4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
The InChIKey is GUYHPFWXOAUIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O4S/c26-20-10-9-19(17-24(20)34(32,33)29-12-11-18-5-1-2-6-21(18)29)25(31)28-15-13-27(14-16-28)22-7-3-4-8-23(22)30/h1-10,17,30H,11-16H2.
What are the key properties of [4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone?
[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone has a molecular weight of 498.00 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 2594952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).