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

C18H16F2N2O2S2 — CID 7518293

IUPAC4-fluoro-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
SMILESCc1nc(-c2cccc(F)c2)sc1CCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H16F2N2O2S2/c1-12-17(25-18(22-12)13-3-2-4-15(20)11-13)9-10-21-26(23,24)16-7-5-14(19)6-8-16/h2-8,11,21H,9-10H2,1H3
InChIKeyNZYGBKLQUFZZJK-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.92
Rot. Bonds6

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

4-fluoro-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide (PubChem CID 7518293) has the molecular formula C18H16F2N2O2S2 and a molecular weight of 394.47 g/mol. Its IUPAC name is 4-fluoro-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
PubChem CID7518293
Molecular FormulaC18H16F2N2O2S2
Molecular Weight394.47 g/mol
Exact Mass394.06
IUPAC Name4-fluoro-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
SMILESCc1nc(-c2cccc(F)c2)sc1CCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H16F2N2O2S2/c1-12-17(25-18(22-12)13-3-2-4-15(20)11-13)9-10-21-26(23,24)16-7-5-14(19)6-8-16/h2-8,11,21H,9-10H2,1H3
InChIKeyNZYGBKLQUFZZJK-UHFFFAOYSA-N
XLogP3.92
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
CID 7503062
5-fluoro-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxybenzenesulfonamide
CID 44826619
N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpropane-1-sulfonamide
CID 7518305
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 20965729
2-fluoro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
CID 7503085
4-fluoro-3-methyl-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
CID 7503113
N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-phenylbenzenesulfonamide
CID 18563013
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-ethylbenzenesulfonamide
CID 20965733
N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 7207713
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propane-1-sulfonamide
CID 7503071
4-chloro-N-[2-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
CID 22583799
4-fluoro-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 18563012

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide (CID 7518293) is 4-fluoro-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide is Cc1nc(-c2cccc(F)c2)sc1CCNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide?
The InChIKey is NZYGBKLQUFZZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O2S2/c1-12-17(25-18(22-12)13-3-2-4-15(20)11-13)9-10-21-26(23,24)16-7-5-14(19)6-8-16/h2-8,11,21H,9-10H2,1H3.
What are the key properties of 4-fluoro-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide?
4-fluoro-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide has a molecular weight of 394.47 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 7518293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).