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

C17H16FN3O2S2 — CID 110284985

IUPAC4-fluoro-3-methyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCc2csc(-c3ccccn3)n2)ccc1F
InChIInChI=1S/C17H16FN3O2S2/c1-12-10-14(5-6-15(12)18)25(22,23)20-9-7-13-11-24-17(21-13)16-4-2-3-8-19-16/h2-6,8,10-11,20H,7,9H2,1H3
InChIKeyMEZVIUQKIHBGHO-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.17
Rot. Bonds6

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

4-fluoro-3-methyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 110284985) has the molecular formula C17H16FN3O2S2 and a molecular weight of 377.47 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
PubChem CID110284985
Molecular FormulaC17H16FN3O2S2
Molecular Weight377.47 g/mol
Exact Mass377.07
IUPAC Name4-fluoro-3-methyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCc2csc(-c3ccccn3)n2)ccc1F
InChIInChI=1S/C17H16FN3O2S2/c1-12-10-14(5-6-15(12)18)25(22,23)20-9-7-13-11-24-17(21-13)16-4-2-3-8-19-16/h2-6,8,10-11,20H,7,9H2,1H3
InChIKeyMEZVIUQKIHBGHO-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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Related Compounds

4-fluoro-3-methyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110397955
N-(ethylsulfamoyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanamine
CID 110624920
4-fluoro-3-methyl-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]benzenesulfonamide
CID 110314691
N-[2-[2-(2,6-difluorophenyl)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110317259
4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 7314460
4-fluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 51125777
4-chloro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 2386160
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]naphthalene-2-sulfonamide
CID 18554591
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110406547
3-(aminomethyl)-4-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 63287946
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]naphthalene-2-sulfonamide
CID 16805893
3-methyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110317603

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide (CID 110284985) is 4-fluoro-3-methyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide is Cc1cc(S(=O)(=O)NCCc2csc(-c3ccccn3)n2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is MEZVIUQKIHBGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S2/c1-12-10-14(5-6-15(12)18)25(22,23)20-9-7-13-11-24-17(21-13)16-4-2-3-8-19-16/h2-6,8,10-11,20H,7,9H2,1H3.
What are the key properties of 4-fluoro-3-methyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide?
4-fluoro-3-methyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-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-3-methyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110284985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).