[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone

C25H25N3O3S — CID 2556963

IUPAC[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H25N3O3S/c29-25(27-17-15-26(16-18-27)22-9-2-1-3-10-22)21-8-6-11-23(19-21)32(30,31)28-14-13-20-7-4-5-12-24(20)28/h1-12,19H,13-18H2
InChIKeyWQYXWNNSRVRVOO-UHFFFAOYSA-N
MW447.56 g/mol
LogP3.40
Rot. Bonds4

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

[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 2556963) has the molecular formula C25H25N3O3S and a molecular weight of 447.56 g/mol. Its IUPAC name is [3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID2556963
Molecular FormulaC25H25N3O3S
Molecular Weight447.56 g/mol
Exact Mass447.16
IUPAC Name[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H25N3O3S/c29-25(27-17-15-26(16-18-27)22-9-2-1-3-10-22)21-8-6-11-23(19-21)32(30,31)28-14-13-20-7-4-5-12-24(20)28/h1-12,19H,13-18H2
InChIKeyWQYXWNNSRVRVOO-UHFFFAOYSA-N
XLogP3.40
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 112766393
3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 7062520
3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide
CID 2704832
N-(2-benzamidoethyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 55549519
[1-(benzenesulfonyl)-2,3-dihydroindol-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 53160542
[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-[(5S)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 96539429
(4-benzoylphenyl) 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2407728
[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 55539295
[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(3-methylpiperidin-1-yl)methanone
CID 24981846
(4-methoxyphenyl) 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 8881484
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-methylpiperazin-1-yl)benzamide
CID 9204710
4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
CID 856543

Frequently Asked Questions

What is the IUPAC name of [3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone (CID 2556963) is [3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone is O=C(c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is WQYXWNNSRVRVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3S/c29-25(27-17-15-26(16-18-27)22-9-2-1-3-10-22)21-8-6-11-23(19-21)32(30,31)28-14-13-20-7-4-5-12-24(20)28/h1-12,19H,13-18H2.
What are the key properties of [3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone?
[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 447.56 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 2556963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).