2-[(3-chloro-2-pyridinyl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C17H17ClN2O3S — CID 51119080

IUPAC2-[(3-chloro-2-pyridinyl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(CS(=O)(=O)c1ncccc1Cl)NC1CCCc2ccccc21
InChIInChI=1S/C17H17ClN2O3S/c18-14-8-4-10-19-17(14)24(22,23)11-16(21)20-15-9-3-6-12-5-1-2-7-13(12)15/h1-2,4-5,7-8,10,15H,3,6,9,11H2,(H,20,21)
InChIKeyXQSHVMUKWUXKSF-UHFFFAOYSA-N
MW364.85 g/mol
LogP2.70
Rot. Bonds4

About 2-[(3-chloro-2-pyridinyl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-[(3-chloro-2-pyridinyl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 51119080) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is 2-[(3-chloro-2-pyridinyl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-[(3-chloro-2-pyridinyl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID51119080
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC Name2-[(3-chloro-2-pyridinyl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(CS(=O)(=O)c1ncccc1Cl)NC1CCCc2ccccc21
InChIInChI=1S/C17H17ClN2O3S/c18-14-8-4-10-19-17(14)24(22,23)11-16(21)20-15-9-3-6-12-5-1-2-7-13(12)15/h1-2,4-5,7-8,10,15H,3,6,9,11H2,(H,20,21)
InChIKeyXQSHVMUKWUXKSF-UHFFFAOYSA-N
XLogP2.70
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 51119080) is 2-[(3-chloro-2-pyridinyl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-[(3-chloro-2-pyridinyl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-[(3-chloro-2-pyridinyl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is O=C(CS(=O)(=O)c1ncccc1Cl)NC1CCCc2ccccc21.
What is the InChIKey of 2-[(3-chloro-2-pyridinyl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is XQSHVMUKWUXKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c18-14-8-4-10-19-17(14)24(22,23)11-16(21)20-15-9-3-6-12-5-1-2-7-13(12)15/h1-2,4-5,7-8,10,15H,3,6,9,11H2,(H,20,21).
What are the key properties of 2-[(3-chloro-2-pyridinyl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-[(3-chloro-2-pyridinyl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 364.85 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-pyridinyl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 51119080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).