4-(6-chloronaphthalen-2-yl)sulfonyl-1-(4-pyridin-3-ylbenzoyl)piperazine-2-carboxamide;hydrochloride

C27H24Cl2N4O4S — CID 22709993

IUPAC4-(6-chloronaphthalen-2-yl)sulfonyl-1-(4-pyridin-3-ylbenzoyl)piperazine-2-carboxamide;hydrochloride
SMILESCl.NC(=O)C1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1C(=O)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C27H23ClN4O4S.ClH/c28-23-9-7-21-15-24(10-8-20(21)14-23)37(35,36)31-12-13-32(25(17-31)26(29)33)27(34)19-5-3-18(4-6-19)22-2-1-11-30-16-22;/h1-11,14-16,25H,12-13,17H2,(H2,29,33);1H
InChIKeyRQWXLWMZLARICB-UHFFFAOYSA-N
MW571.49 g/mol
LogP3.98
Rot. Bonds5

About 4-(6-chloronaphthalen-2-yl)sulfonyl-1-(4-pyridin-3-ylbenzoyl)piperazine-2-carboxamide;hydrochloride

4-(6-chloronaphthalen-2-yl)sulfonyl-1-(4-pyridin-3-ylbenzoyl)piperazine-2-carboxamide;hydrochloride (PubChem CID 22709993) has the molecular formula C27H24Cl2N4O4S and a molecular weight of 571.49 g/mol. Its IUPAC name is 4-(6-chloronaphthalen-2-yl)sulfonyl-1-(4-pyridin-3-ylbenzoyl)piperazine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(6-chloronaphthalen-2-yl)sulfonyl-1-(4-pyridin-3-ylbenzoyl)piperazine-2-carboxamide;hydrochloride
PubChem CID22709993
Molecular FormulaC27H24Cl2N4O4S
Molecular Weight571.49 g/mol
Exact Mass570.09
IUPAC Name4-(6-chloronaphthalen-2-yl)sulfonyl-1-(4-pyridin-3-ylbenzoyl)piperazine-2-carboxamide;hydrochloride
SMILESCl.NC(=O)C1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1C(=O)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C27H23ClN4O4S.ClH/c28-23-9-7-21-15-24(10-8-20(21)14-23)37(35,36)31-12-13-32(25(17-31)26(29)33)27(34)19-5-3-18(4-6-19)22-2-1-11-30-16-22;/h1-11,14-16,25H,12-13,17H2,(H2,29,33);1H
InChIKeyRQWXLWMZLARICB-UHFFFAOYSA-N
XLogP3.98
TPSA113.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.49
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone;hydrochloride
CID 22711019
4-(benzenesulfonyl)-1-(3,4-dichlorobenzoyl)piperazine-2-carboxamide
CID 69362944
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone
CID 22628100
2-[4-(6-chloronaphthalen-2-yl)sulfonyl-3-methyl-1-(4-pyridin-4-ylbenzoyl)piperazin-2-yl]acetamide
CID 18628925
[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-pyridin-2-ylphenyl)methanone;hydrochloride
CID 22709607
(4-aminocyclohexyl)-[4-(6-chloronaphthalen-2-yl)sulfonyl-2-(thiomorpholine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 22628209
methyl 2-[4-(6-chloronaphthalen-2-yl)sulfonyl-6-(2-methoxy-2-oxoethyl)-1-(4-pyridin-4-ylbenzoyl)piperazin-2-yl]acetate
CID 22709520
4-(4-cyanophenyl)sulfonyl-1-(3,4,5-trihydroxybenzoyl)piperazine-2-carboxamide
CID 175752105
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methanone;hydrochloride
CID 22709763
methyl 4-(benzenesulfonyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate
CID 44783646
3-(6-chloronaphthalen-2-yl)pyridine
CID 173397093

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloronaphthalen-2-yl)sulfonyl-1-(4-pyridin-3-ylbenzoyl)piperazine-2-carboxamide;hydrochloride?
The IUPAC name of 4-(6-chloronaphthalen-2-yl)sulfonyl-1-(4-pyridin-3-ylbenzoyl)piperazine-2-carboxamide;hydrochloride (CID 22709993) is 4-(6-chloronaphthalen-2-yl)sulfonyl-1-(4-pyridin-3-ylbenzoyl)piperazine-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-(6-chloronaphthalen-2-yl)sulfonyl-1-(4-pyridin-3-ylbenzoyl)piperazine-2-carboxamide;hydrochloride?
The canonical SMILES for 4-(6-chloronaphthalen-2-yl)sulfonyl-1-(4-pyridin-3-ylbenzoyl)piperazine-2-carboxamide;hydrochloride is Cl.NC(=O)C1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1C(=O)c1ccc(-c2cccnc2)cc1.
What is the InChIKey of 4-(6-chloronaphthalen-2-yl)sulfonyl-1-(4-pyridin-3-ylbenzoyl)piperazine-2-carboxamide;hydrochloride?
The InChIKey is RQWXLWMZLARICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN4O4S.ClH/c28-23-9-7-21-15-24(10-8-20(21)14-23)37(35,36)31-12-13-32(25(17-31)26(29)33)27(34)19-5-3-18(4-6-19)22-2-1-11-30-16-22;/h1-11,14-16,25H,12-13,17H2,(H2,29,33);1H.
What are the key properties of 4-(6-chloronaphthalen-2-yl)sulfonyl-1-(4-pyridin-3-ylbenzoyl)piperazine-2-carboxamide;hydrochloride?
4-(6-chloronaphthalen-2-yl)sulfonyl-1-(4-pyridin-3-ylbenzoyl)piperazine-2-carboxamide;hydrochloride has a molecular weight of 571.49 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloronaphthalen-2-yl)sulfonyl-1-(4-pyridin-3-ylbenzoyl)piperazine-2-carboxamide;hydrochloride is sourced from PubChem (CID 22709993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).