N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2,2-dimethylpropanamide

C18H21FN2O3S — CID 21002091

IUPACN-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC(c1cccnc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H21FN2O3S/c1-18(2,3)17(22)21-12-16(13-5-4-10-20-11-13)25(23,24)15-8-6-14(19)7-9-15/h4-11,16H,12H2,1-3H3,(H,21,22)
InChIKeyGOJIXRJDCSGBSK-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.90
Rot. Bonds5

About N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2,2-dimethylpropanamide

N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2,2-dimethylpropanamide (PubChem CID 21002091) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2,2-dimethylpropanamide
PubChem CID21002091
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC NameN-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC(c1cccnc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H21FN2O3S/c1-18(2,3)17(22)21-12-16(13-5-4-10-20-11-13)25(23,24)15-8-6-14(19)7-9-15/h4-11,16H,12H2,1-3H3,(H,21,22)
InChIKeyGOJIXRJDCSGBSK-UHFFFAOYSA-N
XLogP2.90
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2,2-dimethylpropanamide (CID 21002091) is N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCC(c1cccnc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2,2-dimethylpropanamide?
The InChIKey is GOJIXRJDCSGBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-18(2,3)17(22)21-12-16(13-5-4-10-20-11-13)25(23,24)15-8-6-14(19)7-9-15/h4-11,16H,12H2,1-3H3,(H,21,22).
What are the key properties of N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2,2-dimethylpropanamide?
N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2,2-dimethylpropanamide has a molecular weight of 364.44 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)sulfonyl-2-pyridin-3-ylethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 21002091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).