4-(4-benzyl-1,3-thiazol-2-yl)benzenesulfonamide

C16H14N2O2S2 — CID 122140615

IUPAC4-(4-benzyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2nc(Cc3ccccc3)cs2)cc1
InChIInChI=1S/C16H14N2O2S2/c17-22(19,20)15-8-6-13(7-9-15)16-18-14(11-21-16)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,17,19,20)
InChIKeySBHKDKXXSPYUGE-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.05
Rot. Bonds4

About 4-(4-benzyl-1,3-thiazol-2-yl)benzenesulfonamide

4-(4-benzyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 122140615) has the molecular formula C16H14N2O2S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-(4-benzyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-benzyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID122140615
Molecular FormulaC16H14N2O2S2
Molecular Weight330.43 g/mol
Exact Mass330.05
IUPAC Name4-(4-benzyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2nc(Cc3ccccc3)cs2)cc1
InChIInChI=1S/C16H14N2O2S2/c17-22(19,20)15-8-6-13(7-9-15)16-18-14(11-21-16)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,17,19,20)
InChIKeySBHKDKXXSPYUGE-UHFFFAOYSA-N
XLogP3.05
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]ethyl]benzenesulfonamide
CID 78817551
(2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride
CID 13196628
4-[2-(4-cyanophenyl)-1,3-thiazol-4-yl]benzenesulfonamide
CID 166436069
4-benzyl-2-pyridin-2-yl-1,3-thiazole
CID 18182490
(2-phenyl-1,3-thiazol-4-yl)methyl 2-methoxy-5-sulfamoylbenzoate
CID 7467913
2-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 39084342
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
4-[2-benzyl-4-(4-chlorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 18701480
4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 60620531
4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 60620529
N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 55437304
4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride
CID 118514483

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-(4-benzyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 122140615) is 4-(4-benzyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(4-benzyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(4-benzyl-1,3-thiazol-2-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(-c2nc(Cc3ccccc3)cs2)cc1.
What is the InChIKey of 4-(4-benzyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is SBHKDKXXSPYUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S2/c17-22(19,20)15-8-6-13(7-9-15)16-18-14(11-21-16)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,17,19,20).
What are the key properties of 4-(4-benzyl-1,3-thiazol-2-yl)benzenesulfonamide?
4-(4-benzyl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 330.43 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 122140615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).