N-[(2-amino-4-phenyl-1,3-thiazol-5-yl)methyl]-4-fluorobenzenesulfonamide

C16H14FN3O2S2 — CID 156782864

IUPACN-[(2-amino-4-phenyl-1,3-thiazol-5-yl)methyl]-4-fluorobenzenesulfonamide
SMILESNc1nc(-c2ccccc2)c(CNS(=O)(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C16H14FN3O2S2/c17-12-6-8-13(9-7-12)24(21,22)19-10-14-15(20-16(18)23-14)11-4-2-1-3-5-11/h1-9,19H,10H2,(H2,18,20)
InChIKeyZOXPFJMMFVSARL-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.01
Rot. Bonds5

About N-[(2-amino-4-phenyl-1,3-thiazol-5-yl)methyl]-4-fluorobenzenesulfonamide

N-[(2-amino-4-phenyl-1,3-thiazol-5-yl)methyl]-4-fluorobenzenesulfonamide (PubChem CID 156782864) has the molecular formula C16H14FN3O2S2 and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[(2-amino-4-phenyl-1,3-thiazol-5-yl)methyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-amino-4-phenyl-1,3-thiazol-5-yl)methyl]-4-fluorobenzenesulfonamide
PubChem CID156782864
Molecular FormulaC16H14FN3O2S2
Molecular Weight363.44 g/mol
Exact Mass363.05
IUPAC NameN-[(2-amino-4-phenyl-1,3-thiazol-5-yl)methyl]-4-fluorobenzenesulfonamide
SMILESNc1nc(-c2ccccc2)c(CNS(=O)(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C16H14FN3O2S2/c17-12-6-8-13(9-7-12)24(21,22)19-10-14-15(20-16(18)23-14)11-4-2-1-3-5-11/h1-9,19H,10H2,(H2,18,20)
InChIKeyZOXPFJMMFVSARL-UHFFFAOYSA-N
XLogP3.01
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-fluorobenzenesulfonamide
CID 835474
N-(4-fluorophenyl)sulfonyl-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)acetamide
CID 11682564
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-4-phenylbenzenesulfonamide
CID 121121722
4-fluoro-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 54773764
5-benzyl-4-phenyl-1,3-thiazol-2-amine
CID 57476891
N-[(4-aminophenyl)methyl]-4-fluorobenzenesulfonamide
CID 39380215
4-phenyl-5-(2-phenylethyl)-1,3-thiazol-2-amine
CID 88924616
N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 110645151
5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-phenyl-1,3-thiazol-2-amine
CID 19982248
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
CID 7503062
4-fluoro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 4895698
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide
CID 79530004

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-4-phenyl-1,3-thiazol-5-yl)methyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[(2-amino-4-phenyl-1,3-thiazol-5-yl)methyl]-4-fluorobenzenesulfonamide (CID 156782864) is N-[(2-amino-4-phenyl-1,3-thiazol-5-yl)methyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(2-amino-4-phenyl-1,3-thiazol-5-yl)methyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[(2-amino-4-phenyl-1,3-thiazol-5-yl)methyl]-4-fluorobenzenesulfonamide is Nc1nc(-c2ccccc2)c(CNS(=O)(=O)c2ccc(F)cc2)s1.
What is the InChIKey of N-[(2-amino-4-phenyl-1,3-thiazol-5-yl)methyl]-4-fluorobenzenesulfonamide?
The InChIKey is ZOXPFJMMFVSARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S2/c17-12-6-8-13(9-7-12)24(21,22)19-10-14-15(20-16(18)23-14)11-4-2-1-3-5-11/h1-9,19H,10H2,(H2,18,20).
What are the key properties of N-[(2-amino-4-phenyl-1,3-thiazol-5-yl)methyl]-4-fluorobenzenesulfonamide?
N-[(2-amino-4-phenyl-1,3-thiazol-5-yl)methyl]-4-fluorobenzenesulfonamide has a molecular weight of 363.44 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-4-phenyl-1,3-thiazol-5-yl)methyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 156782864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).