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

C17H15FN2O2S2 — CID 110645151

IUPACN-[(5-benzyl-1,3-thiazol-2-yl)methyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCc1ncc(Cc2ccccc2)s1)c1ccc(F)cc1
InChIInChI=1S/C17H15FN2O2S2/c18-14-6-8-16(9-7-14)24(21,22)20-12-17-19-11-15(23-17)10-13-4-2-1-3-5-13/h1-9,11,20H,10,12H2
InChIKeyHDSMOUYSCRKMHS-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.35
Rot. Bonds6

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

N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-4-fluorobenzenesulfonamide (PubChem CID 110645151) has the molecular formula C17H15FN2O2S2 and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(5-benzyl-1,3-thiazol-2-yl)methyl]-4-fluorobenzenesulfonamide
PubChem CID110645151
Molecular FormulaC17H15FN2O2S2
Molecular Weight362.45 g/mol
Exact Mass362.06
IUPAC NameN-[(5-benzyl-1,3-thiazol-2-yl)methyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCc1ncc(Cc2ccccc2)s1)c1ccc(F)cc1
InChIInChI=1S/C17H15FN2O2S2/c18-14-6-8-16(9-7-14)24(21,22)20-12-17-19-11-15(23-17)10-13-4-2-1-3-5-13/h1-9,11,20H,10,12H2
InChIKeyHDSMOUYSCRKMHS-UHFFFAOYSA-N
XLogP3.35
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]thiophene-2-sulfonamide
CID 110421228
4-fluoro-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110739007
N-benzyl-4-fluorobenzenesulfonamide
CID 835474
N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110421238
2-fluoro-N-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methyl]benzamide
CID 110645265
[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methanamine
CID 82054476
5-[(5-ethyl-1,3-thiazol-2-yl)methylsulfamoyl]pyridine-2-carboxylic acid
CID 146092792
4-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzenesulfonamide
CID 78819960
4-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3765011
N-[(2-amino-4-phenyl-1,3-thiazol-5-yl)methyl]-4-fluorobenzenesulfonamide
CID 156782864
3-amino-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 104868462
4-fluoro-N-(phenoxymethyl)benzenesulfonamide
CID 70133327

Frequently Asked Questions

What is the IUPAC name of N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-4-fluorobenzenesulfonamide (CID 110645151) is N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-4-fluorobenzenesulfonamide is O=S(=O)(NCc1ncc(Cc2ccccc2)s1)c1ccc(F)cc1.
What is the InChIKey of N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-4-fluorobenzenesulfonamide?
The InChIKey is HDSMOUYSCRKMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2S2/c18-14-6-8-16(9-7-14)24(21,22)20-12-17-19-11-15(23-17)10-13-4-2-1-3-5-13/h1-9,11,20H,10,12H2.
What are the key properties of N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-4-fluorobenzenesulfonamide?
N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-4-fluorobenzenesulfonamide has a molecular weight of 362.45 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 110645151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).