[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone;hydrochloride

C26H23Cl2N3O3S — CID 22711019

IUPAC[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone;hydrochloride
SMILESCl.O=C(c1ccc(-c2cccnc2)cc1)N1CCN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1
InChIInChI=1S/C26H22ClN3O3S.ClH/c27-24-9-7-22-17-25(10-8-21(22)16-24)34(32,33)30-14-12-29(13-15-30)26(31)20-5-3-19(4-6-20)23-2-1-11-28-18-23;/h1-11,16-18H,12-15H2;1H
InChIKeyQUDLTVIKBNSOGY-UHFFFAOYSA-N
MW528.46 g/mol
LogP5.12
Rot. Bonds4

About [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone;hydrochloride

[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone;hydrochloride (PubChem CID 22711019) has the molecular formula C26H23Cl2N3O3S and a molecular weight of 528.46 g/mol. Its IUPAC name is [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone;hydrochloride
PubChem CID22711019
Molecular FormulaC26H23Cl2N3O3S
Molecular Weight528.46 g/mol
Exact Mass527.08
IUPAC Name[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone;hydrochloride
SMILESCl.O=C(c1ccc(-c2cccnc2)cc1)N1CCN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1
InChIInChI=1S/C26H22ClN3O3S.ClH/c27-24-9-7-22-17-25(10-8-21(22)16-24)34(32,33)30-14-12-29(13-15-30)26(31)20-5-3-19(4-6-20)23-2-1-11-28-18-23;/h1-11,16-18H,12-15H2;1H
InChIKeyQUDLTVIKBNSOGY-UHFFFAOYSA-N
XLogP5.12
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.46
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-chloronaphthalen-2-yl)sulfonyl-1-(4-pyridin-3-ylbenzoyl)piperazine-2-carboxamide;hydrochloride
CID 22709993
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-pyridin-2-ylphenyl)methanone;hydrochloride
CID 22709607
[4-(3-amino-2-pyridinyl)phenyl]-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 18628880
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone
CID 22628100
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methanone;hydrochloride
CID 22709763
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-([1,3]thiazolo[5,4-c]pyridin-2-yl)methanone
CID 22709892
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-[5-(3-fluoro-4-pyridinyl)pyrimidin-2-yl]methanone
CID 22709919
(6-chloro-3-pyridinyl)-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone
CID 39227234
4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylic acid
CID 54489815
(6-methyl-3-pyridinyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 18148430
N-[4-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]benzenecarboximidoyl]acetamide
CID 149151874
(2-chloro-4-pyridinyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 32694457

Frequently Asked Questions

What is the IUPAC name of [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone;hydrochloride?
The IUPAC name of [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone;hydrochloride (CID 22711019) is [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone;hydrochloride.
What is the SMILES notation for [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone;hydrochloride?
The canonical SMILES for [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone;hydrochloride is Cl.O=C(c1ccc(-c2cccnc2)cc1)N1CCN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1.
What is the InChIKey of [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone;hydrochloride?
The InChIKey is QUDLTVIKBNSOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O3S.ClH/c27-24-9-7-22-17-25(10-8-21(22)16-24)34(32,33)30-14-12-29(13-15-30)26(31)20-5-3-19(4-6-20)23-2-1-11-28-18-23;/h1-11,16-18H,12-15H2;1H.
What are the key properties of [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone;hydrochloride?
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone;hydrochloride has a molecular weight of 528.46 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone;hydrochloride is sourced from PubChem (CID 22711019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).