2-(4-chloro-2-fluorophenyl)sulfonyl-N-(4-ethyl-2-pyridinyl)-2-methylpropanamide

C17H18ClFN2O3S — CID 58198739

IUPAC2-(4-chloro-2-fluorophenyl)sulfonyl-N-(4-ethyl-2-pyridinyl)-2-methylpropanamide
SMILESCCc1ccnc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2F)c1
InChIInChI=1S/C17H18ClFN2O3S/c1-4-11-7-8-20-15(9-11)21-16(22)17(2,3)25(23,24)14-6-5-12(18)10-13(14)19/h5-10H,4H2,1-3H3,(H,20,21,22)
InChIKeyUIQJMIQUMJELKT-UHFFFAOYSA-N
MW384.86 g/mol
LogP3.63
Rot. Bonds5

About 2-(4-chloro-2-fluorophenyl)sulfonyl-N-(4-ethyl-2-pyridinyl)-2-methylpropanamide

2-(4-chloro-2-fluorophenyl)sulfonyl-N-(4-ethyl-2-pyridinyl)-2-methylpropanamide (PubChem CID 58198739) has the molecular formula C17H18ClFN2O3S and a molecular weight of 384.86 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)sulfonyl-N-(4-ethyl-2-pyridinyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)sulfonyl-N-(4-ethyl-2-pyridinyl)-2-methylpropanamide
PubChem CID58198739
Molecular FormulaC17H18ClFN2O3S
Molecular Weight384.86 g/mol
Exact Mass384.07
IUPAC Name2-(4-chloro-2-fluorophenyl)sulfonyl-N-(4-ethyl-2-pyridinyl)-2-methylpropanamide
SMILESCCc1ccnc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2F)c1
InChIInChI=1S/C17H18ClFN2O3S/c1-4-11-7-8-20-15(9-11)21-16(22)17(2,3)25(23,24)14-6-5-12(18)10-13(14)19/h5-10H,4H2,1-3H3,(H,20,21,22)
InChIKeyUIQJMIQUMJELKT-UHFFFAOYSA-N
XLogP3.63
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 53.63
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-N-(4-ethyl-2-pyridinyl)-2-methylpropanamide?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)sulfonyl-N-(4-ethyl-2-pyridinyl)-2-methylpropanamide (CID 58198739) is 2-(4-chloro-2-fluorophenyl)sulfonyl-N-(4-ethyl-2-pyridinyl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)sulfonyl-N-(4-ethyl-2-pyridinyl)-2-methylpropanamide?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)sulfonyl-N-(4-ethyl-2-pyridinyl)-2-methylpropanamide is CCc1ccnc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2F)c1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)sulfonyl-N-(4-ethyl-2-pyridinyl)-2-methylpropanamide?
The InChIKey is UIQJMIQUMJELKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O3S/c1-4-11-7-8-20-15(9-11)21-16(22)17(2,3)25(23,24)14-6-5-12(18)10-13(14)19/h5-10H,4H2,1-3H3,(H,20,21,22).
What are the key properties of 2-(4-chloro-2-fluorophenyl)sulfonyl-N-(4-ethyl-2-pyridinyl)-2-methylpropanamide?
2-(4-chloro-2-fluorophenyl)sulfonyl-N-(4-ethyl-2-pyridinyl)-2-methylpropanamide has a molecular weight of 384.86 g/mol, XLogP of 3.63, 5 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-N-(4-ethyl-2-pyridinyl)-2-methylpropanamide is sourced from PubChem (CID 58198739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).