1-(3-chloro-4-methoxyphenyl)sulfonyl-2-pyridin-3-ylpiperazine

C16H18ClN3O3S — CID 120764094

IUPAC1-(3-chloro-4-methoxyphenyl)sulfonyl-2-pyridin-3-ylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCNCC2c2cccnc2)cc1Cl
InChIInChI=1S/C16H18ClN3O3S/c1-23-16-5-4-13(9-14(16)17)24(21,22)20-8-7-19-11-15(20)12-3-2-6-18-10-12/h2-6,9-10,15,19H,7-8,11H2,1H3
InChIKeyAATSECRCRLYGIC-UHFFFAOYSA-N
MW367.86 g/mol
LogP2.08
Rot. Bonds4

About 1-(3-chloro-4-methoxyphenyl)sulfonyl-2-pyridin-3-ylpiperazine

1-(3-chloro-4-methoxyphenyl)sulfonyl-2-pyridin-3-ylpiperazine (PubChem CID 120764094) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)sulfonyl-2-pyridin-3-ylpiperazine.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)sulfonyl-2-pyridin-3-ylpiperazine
PubChem CID120764094
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC Name1-(3-chloro-4-methoxyphenyl)sulfonyl-2-pyridin-3-ylpiperazine
SMILESCOc1ccc(S(=O)(=O)N2CCNCC2c2cccnc2)cc1Cl
InChIInChI=1S/C16H18ClN3O3S/c1-23-16-5-4-13(9-14(16)17)24(21,22)20-8-7-19-11-15(20)12-3-2-6-18-10-12/h2-6,9-10,15,19H,7-8,11H2,1H3
InChIKeyAATSECRCRLYGIC-UHFFFAOYSA-N
XLogP2.08
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763595
1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763950
1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonyl-2-pyridin-3-ylpiperazine
CID 120876710
1-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120764282
1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763589
methyl 2-fluoro-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzoate;hydrochloride
CID 120764245
1-(4-bromophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764391
3-methoxy-4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzonitrile
CID 120876714
2-pyridin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine;hydrochloride
CID 120763604
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764101
methyl 4-methoxy-3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzoate;hydrochloride
CID 120763532
2-pyridin-3-yl-1-(3,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride
CID 120763965

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)sulfonyl-2-pyridin-3-ylpiperazine?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)sulfonyl-2-pyridin-3-ylpiperazine (CID 120764094) is 1-(3-chloro-4-methoxyphenyl)sulfonyl-2-pyridin-3-ylpiperazine.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)sulfonyl-2-pyridin-3-ylpiperazine?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)sulfonyl-2-pyridin-3-ylpiperazine is COc1ccc(S(=O)(=O)N2CCNCC2c2cccnc2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)sulfonyl-2-pyridin-3-ylpiperazine?
The InChIKey is AATSECRCRLYGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S/c1-23-16-5-4-13(9-14(16)17)24(21,22)20-8-7-19-11-15(20)12-3-2-6-18-10-12/h2-6,9-10,15,19H,7-8,11H2,1H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)sulfonyl-2-pyridin-3-ylpiperazine?
1-(3-chloro-4-methoxyphenyl)sulfonyl-2-pyridin-3-ylpiperazine has a molecular weight of 367.86 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)sulfonyl-2-pyridin-3-ylpiperazine is sourced from PubChem (CID 120764094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).