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

C16H14FN3O2S2 — CID 7119072

IUPAC3-fluoro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1csc(-c2cccnc2)n1)c1cccc(F)c1
InChIInChI=1S/C16H14FN3O2S2/c17-13-4-1-5-15(9-13)24(21,22)19-8-6-14-11-23-16(20-14)12-3-2-7-18-10-12/h1-5,7,9-11,19H,6,8H2
InChIKeyIIXAWJRUYVNCKQ-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.87
Rot. Bonds6

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

3-fluoro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 7119072) has the molecular formula C16H14FN3O2S2 and a molecular weight of 363.44 g/mol. Its IUPAC name is 3-fluoro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
PubChem CID7119072
Molecular FormulaC16H14FN3O2S2
Molecular Weight363.44 g/mol
Exact Mass363.05
IUPAC Name3-fluoro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1csc(-c2cccnc2)n1)c1cccc(F)c1
InChIInChI=1S/C16H14FN3O2S2/c17-13-4-1-5-15(9-13)24(21,22)19-8-6-14-11-23-16(20-14)12-3-2-7-18-10-12/h1-5,7,9-11,19H,6,8H2
InChIKeyIIXAWJRUYVNCKQ-UHFFFAOYSA-N
XLogP2.87
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide (CID 7119072) is 3-fluoro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1csc(-c2cccnc2)n1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is IIXAWJRUYVNCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S2/c17-13-4-1-5-15(9-13)24(21,22)19-8-6-14-11-23-16(20-14)12-3-2-7-18-10-12/h1-5,7,9-11,19H,6,8H2.
What are the key properties of 3-fluoro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
3-fluoro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 363.44 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 7119072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).