3-(4-fluorophenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide

C17H14FN3O3S2 — CID 22581373

IUPAC3-(4-fluorophenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C17H14FN3O3S2/c18-12-4-6-13(7-5-12)26(23,24)10-8-16(22)21-17-20-15(11-25-17)14-3-1-2-9-19-14/h1-7,9,11H,8,10H2,(H,20,21,22)
InChIKeyKWBGQUSGCVQRIB-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.15
Rot. Bonds6

About 3-(4-fluorophenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide

3-(4-fluorophenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 22581373) has the molecular formula C17H14FN3O3S2 and a molecular weight of 391.45 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
PubChem CID22581373
Molecular FormulaC17H14FN3O3S2
Molecular Weight391.45 g/mol
Exact Mass391.05
IUPAC Name3-(4-fluorophenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C17H14FN3O3S2/c18-12-4-6-13(7-5-12)26(23,24)10-8-16(22)21-17-20-15(11-25-17)14-3-1-2-9-19-14/h1-7,9,11H,8,10H2,(H,20,21,22)
InChIKeyKWBGQUSGCVQRIB-UHFFFAOYSA-N
XLogP3.15
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(4-fluorophenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide (CID 22581373) is 3-(4-fluorophenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide is O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1nc(-c2ccccn2)cs1.
What is the InChIKey of 3-(4-fluorophenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is KWBGQUSGCVQRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3S2/c18-12-4-6-13(7-5-12)26(23,24)10-8-16(22)21-17-20-15(11-25-17)14-3-1-2-9-19-14/h1-7,9,11H,8,10H2,(H,20,21,22).
What are the key properties of 3-(4-fluorophenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
3-(4-fluorophenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 391.45 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 22581373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).