2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(5-methyl-2-pyridinyl)propanamide

C16H16ClFN2O3S — CID 24855720

IUPAC2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(5-methyl-2-pyridinyl)propanamide
SMILESCc1ccc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2F)nc1
InChIInChI=1S/C16H16ClFN2O3S/c1-10-4-7-14(19-9-10)20-15(21)16(2,3)24(22,23)13-6-5-11(17)8-12(13)18/h4-9H,1-3H3,(H,19,20,21)
InChIKeyJBPJEXGOJIQYEB-UHFFFAOYSA-N
MW370.83 g/mol
LogP3.37
Rot. Bonds4

About 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(5-methyl-2-pyridinyl)propanamide

2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(5-methyl-2-pyridinyl)propanamide (PubChem CID 24855720) has the molecular formula C16H16ClFN2O3S and a molecular weight of 370.83 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(5-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(5-methyl-2-pyridinyl)propanamide
PubChem CID24855720
Molecular FormulaC16H16ClFN2O3S
Molecular Weight370.83 g/mol
Exact Mass370.06
IUPAC Name2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(5-methyl-2-pyridinyl)propanamide
SMILESCc1ccc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2F)nc1
InChIInChI=1S/C16H16ClFN2O3S/c1-10-4-7-14(19-9-10)20-15(21)16(2,3)24(22,23)13-6-5-11(17)8-12(13)18/h4-9H,1-3H3,(H,19,20,21)
InChIKeyJBPJEXGOJIQYEB-UHFFFAOYSA-N
XLogP3.37
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.83
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(5-methyl-2-pyridinyl)propanamide?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(5-methyl-2-pyridinyl)propanamide (CID 24855720) is 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(5-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(5-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(5-methyl-2-pyridinyl)propanamide is Cc1ccc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2F)nc1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(5-methyl-2-pyridinyl)propanamide?
The InChIKey is JBPJEXGOJIQYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O3S/c1-10-4-7-14(19-9-10)20-15(21)16(2,3)24(22,23)13-6-5-11(17)8-12(13)18/h4-9H,1-3H3,(H,19,20,21).
What are the key properties of 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(5-methyl-2-pyridinyl)propanamide?
2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(5-methyl-2-pyridinyl)propanamide has a molecular weight of 370.83 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(5-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 24855720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).