4-fluoro-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide

C17H16FN3O2S2 — CID 7202341

IUPAC4-fluoro-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
SMILESCc1nc(-c2cccnc2)sc1CCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H16FN3O2S2/c1-12-16(24-17(21-12)13-3-2-9-19-11-13)8-10-20-25(22,23)15-6-4-14(18)5-7-15/h2-7,9,11,20H,8,10H2,1H3
InChIKeyGLIAINZNHDJWSE-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.17
Rot. Bonds6

About 4-fluoro-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide

4-fluoro-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 7202341) has the molecular formula C17H16FN3O2S2 and a molecular weight of 377.47 g/mol. Its IUPAC name is 4-fluoro-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
PubChem CID7202341
Molecular FormulaC17H16FN3O2S2
Molecular Weight377.47 g/mol
Exact Mass377.07
IUPAC Name4-fluoro-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
SMILESCc1nc(-c2cccnc2)sc1CCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H16FN3O2S2/c1-12-16(24-17(21-12)13-3-2-9-19-11-13)8-10-20-25(22,23)15-6-4-14(18)5-7-15/h2-7,9,11,20H,8,10H2,1H3
InChIKeyGLIAINZNHDJWSE-UHFFFAOYSA-N
XLogP3.17
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide (CID 7202341) is 4-fluoro-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide is Cc1nc(-c2cccnc2)sc1CCNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is GLIAINZNHDJWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S2/c1-12-16(24-17(21-12)13-3-2-9-19-11-13)8-10-20-25(22,23)15-6-4-14(18)5-7-15/h2-7,9,11,20H,8,10H2,1H3.
What are the key properties of 4-fluoro-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
4-fluoro-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 377.47 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 7202341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).