[4-[(5-chloro-3-hydroxy-1H-indol-2-yl)sulfonyl]piperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone

C24H21ClN4O4S — CID 22710520

IUPAC[4-[(5-chloro-3-hydroxy-1H-indol-2-yl)sulfonyl]piperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone
SMILESO=C(c1ccc(-c2ccncc2)cc1)N1CCN(S(=O)(=O)c2[nH]c3ccc(Cl)cc3c2O)CC1
InChIInChI=1S/C24H21ClN4O4S/c25-19-5-6-21-20(15-19)22(30)23(27-21)34(32,33)29-13-11-28(12-14-29)24(31)18-3-1-16(2-4-18)17-7-9-26-10-8-17/h1-10,15,27,30H,11-14H2
InChIKeyGHIRBISVBMCNEM-UHFFFAOYSA-N
MW496.98 g/mol
LogP3.74
Rot. Bonds4

About [4-[(5-chloro-3-hydroxy-1H-indol-2-yl)sulfonyl]piperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone

[4-[(5-chloro-3-hydroxy-1H-indol-2-yl)sulfonyl]piperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone (PubChem CID 22710520) has the molecular formula C24H21ClN4O4S and a molecular weight of 496.98 g/mol. Its IUPAC name is [4-[(5-chloro-3-hydroxy-1H-indol-2-yl)sulfonyl]piperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone.

Molecular Properties

Compound Name[4-[(5-chloro-3-hydroxy-1H-indol-2-yl)sulfonyl]piperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone
PubChem CID22710520
Molecular FormulaC24H21ClN4O4S
Molecular Weight496.98 g/mol
Exact Mass496.10
IUPAC Name[4-[(5-chloro-3-hydroxy-1H-indol-2-yl)sulfonyl]piperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone
SMILESO=C(c1ccc(-c2ccncc2)cc1)N1CCN(S(=O)(=O)c2[nH]c3ccc(Cl)cc3c2O)CC1
InChIInChI=1S/C24H21ClN4O4S/c25-19-5-6-21-20(15-19)22(30)23(27-21)34(32,33)29-13-11-28(12-14-29)24(31)18-3-1-16(2-4-18)17-7-9-26-10-8-17/h1-10,15,27,30H,11-14H2
InChIKeyGHIRBISVBMCNEM-UHFFFAOYSA-N
XLogP3.74
TPSA106.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.98
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(5-chloro-1-ethylindol-2-yl)sulfonylpiperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone
CID 22710942
[4-(4-chloro-2-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 86814208
[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 108536545
[4-(4-ethenylphenyl)sulfonylpiperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone
CID 22628068
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone;hydrochloride
CID 22711019
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone
CID 26757131
5-[4-(pyridine-4-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylic acid
CID 119146278
[4-[(5-chloro-1H-indol-2-yl)sulfonyl]piperazin-1-yl]-(2,3-dihydro-1H-isoindol-5-yl)methanone
CID 22710734
[4-(3-chloro-4-fluorobenzoyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110808597
[4-[(6-chloro-1H-benzimidazol-2-yl)sulfonyl]piperazin-1-yl]-(5-pyridin-4-ylpyrazin-2-yl)methanone
CID 22710248
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 112844718
(4-chlorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 26181355

Frequently Asked Questions

What is the IUPAC name of [4-[(5-chloro-3-hydroxy-1H-indol-2-yl)sulfonyl]piperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone?
The IUPAC name of [4-[(5-chloro-3-hydroxy-1H-indol-2-yl)sulfonyl]piperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone (CID 22710520) is [4-[(5-chloro-3-hydroxy-1H-indol-2-yl)sulfonyl]piperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone.
What is the SMILES notation for [4-[(5-chloro-3-hydroxy-1H-indol-2-yl)sulfonyl]piperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone?
The canonical SMILES for [4-[(5-chloro-3-hydroxy-1H-indol-2-yl)sulfonyl]piperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone is O=C(c1ccc(-c2ccncc2)cc1)N1CCN(S(=O)(=O)c2[nH]c3ccc(Cl)cc3c2O)CC1.
What is the InChIKey of [4-[(5-chloro-3-hydroxy-1H-indol-2-yl)sulfonyl]piperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone?
The InChIKey is GHIRBISVBMCNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O4S/c25-19-5-6-21-20(15-19)22(30)23(27-21)34(32,33)29-13-11-28(12-14-29)24(31)18-3-1-16(2-4-18)17-7-9-26-10-8-17/h1-10,15,27,30H,11-14H2.
What are the key properties of [4-[(5-chloro-3-hydroxy-1H-indol-2-yl)sulfonyl]piperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone?
[4-[(5-chloro-3-hydroxy-1H-indol-2-yl)sulfonyl]piperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone has a molecular weight of 496.98 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-chloro-3-hydroxy-1H-indol-2-yl)sulfonyl]piperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone is sourced from PubChem (CID 22710520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).