N-(5-chloro-2-pyridinyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]acetamide

C21H25ClN4O3S — CID 55411447

IUPACN-(5-chloro-2-pyridinyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)Nc1ccc(Cl)cn1
InChIInChI=1S/C21H25ClN4O3S/c22-18-6-8-20(23-14-18)24-21(27)15-25-9-11-26(12-10-25)30(28,29)19-7-5-16-3-1-2-4-17(16)13-19/h5-8,13-14H,1-4,9-12,15H2,(H,23,24,27)
InChIKeyXFRMUXVOQPEBHQ-UHFFFAOYSA-N
MW448.98 g/mol
LogP2.56
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]acetamide

N-(5-chloro-2-pyridinyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]acetamide (PubChem CID 55411447) has the molecular formula C21H25ClN4O3S and a molecular weight of 448.98 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]acetamide
PubChem CID55411447
Molecular FormulaC21H25ClN4O3S
Molecular Weight448.98 g/mol
Exact Mass448.13
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)Nc1ccc(Cl)cn1
InChIInChI=1S/C21H25ClN4O3S/c22-18-6-8-20(23-14-18)24-21(27)15-25-9-11-26(12-10-25)30(28,29)19-7-5-16-3-1-2-4-17(16)13-19/h5-8,13-14H,1-4,9-12,15H2,(H,23,24,27)
InChIKeyXFRMUXVOQPEBHQ-UHFFFAOYSA-N
XLogP2.56
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.98
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]acetamide
CID 55362361
N-(2-fluorophenyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]acetamide
CID 4828635
N-(5-chloro-2-pyridinyl)-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 55410656
N-(5-chloro-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 17376167
N-(2-bromophenyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]acetamide
CID 17425960
N-(2-methylphenyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]acetamide
CID 9289266
2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 17492761
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 4824648
1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]propan-2-one
CID 110665602
N-(5-chloro-2-pyridinyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51188709
N-(1-cyanocycloheptyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]acetamide
CID 30667403
N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 2655508

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]acetamide (CID 55411447) is N-(5-chloro-2-pyridinyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]acetamide is O=C(CN1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]acetamide?
The InChIKey is XFRMUXVOQPEBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O3S/c22-18-6-8-20(23-14-18)24-21(27)15-25-9-11-26(12-10-25)30(28,29)19-7-5-16-3-1-2-4-17(16)13-19/h5-8,13-14H,1-4,9-12,15H2,(H,23,24,27).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]acetamide?
N-(5-chloro-2-pyridinyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]acetamide has a molecular weight of 448.98 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 55411447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).