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

C18H16F2N2O2S2 — CID 7503085

IUPAC2-fluoro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
SMILESCc1nc(-c2ccc(F)cc2)sc1CCNS(=O)(=O)c1ccccc1F
InChIInChI=1S/C18H16F2N2O2S2/c1-12-16(25-18(22-12)13-6-8-14(19)9-7-13)10-11-21-26(23,24)17-5-3-2-4-15(17)20/h2-9,21H,10-11H2,1H3
InChIKeyPHKWNENSCCHNAO-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.92
Rot. Bonds6

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

2-fluoro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide (PubChem CID 7503085) has the molecular formula C18H16F2N2O2S2 and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-fluoro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
PubChem CID7503085
Molecular FormulaC18H16F2N2O2S2
Molecular Weight394.47 g/mol
Exact Mass394.06
IUPAC Name2-fluoro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
SMILESCc1nc(-c2ccc(F)cc2)sc1CCNS(=O)(=O)c1ccccc1F
InChIInChI=1S/C18H16F2N2O2S2/c1-12-16(25-18(22-12)13-6-8-14(19)9-7-13)10-11-21-26(23,24)17-5-3-2-4-15(17)20/h2-9,21H,10-11H2,1H3
InChIKeyPHKWNENSCCHNAO-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

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Related Compounds

N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
CID 7503062
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propane-1-sulfonamide
CID 7503071
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]prop-2-ene-1-sulfonamide
CID 7518265
4-fluoro-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
CID 7518293
2-fluoro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide
CID 7503026
4-fluoro-3-methyl-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
CID 7503113
5-fluoro-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methoxybenzenesulfonamide
CID 44826619
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 20965729
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylbenzamide
CID 7503031
N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-phenylbenzenesulfonamide
CID 18563013
3-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylpropan-1-amine
CID 116884759
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-ethylbenzenesulfonamide
CID 20965733

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide (CID 7503085) is 2-fluoro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide is Cc1nc(-c2ccc(F)cc2)sc1CCNS(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide?
The InChIKey is PHKWNENSCCHNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O2S2/c1-12-16(25-18(22-12)13-6-8-14(19)9-7-13)10-11-21-26(23,24)17-5-3-2-4-15(17)20/h2-9,21H,10-11H2,1H3.
What are the key properties of 2-fluoro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide?
2-fluoro-N-[2-[2-(4-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 2-fluoro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 7503085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).