N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-4-sulfonamide

C18H13N3O3S2 — CID 122286500

IUPACN-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1cnoc1
InChIInChI=1S/C18H13N3O3S2/c22-26(23,16-10-19-24-11-16)21-15-8-6-13(7-9-15)17-12-25-18(20-17)14-4-2-1-3-5-14/h1-12,21H
InChIKeyVGYVBVNKJQIWMJ-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.27
Rot. Bonds5

About N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-4-sulfonamide

N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-4-sulfonamide (PubChem CID 122286500) has the molecular formula C18H13N3O3S2 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-4-sulfonamide
PubChem CID122286500
Molecular FormulaC18H13N3O3S2
Molecular Weight383.45 g/mol
Exact Mass383.04
IUPAC NameN-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1cnoc1
InChIInChI=1S/C18H13N3O3S2/c22-26(23,16-10-19-24-11-16)21-15-8-6-13(7-9-15)17-12-25-18(20-17)14-4-2-1-3-5-14/h1-12,21H
InChIKeyVGYVBVNKJQIWMJ-UHFFFAOYSA-N
XLogP4.27
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 1203751
2-fluoro-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286327
3-nitro-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 58874615
1,2-dimethyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide
CID 122286498
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-fluorobenzenesulfonamide
CID 108784162
1-ethyl-2-methyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide
CID 122286504
2-methoxy-5-[[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzamide
CID 122286502
11-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
CID 122286495
3,4-difluoro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286228
4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 10222134
N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 54340665
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 108784171

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-4-sulfonamide (CID 122286500) is N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-4-sulfonamide is O=S(=O)(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1cnoc1.
What is the InChIKey of N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is VGYVBVNKJQIWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3S2/c22-26(23,16-10-19-24-11-16)21-15-8-6-13(7-9-15)17-12-25-18(20-17)14-4-2-1-3-5-14/h1-12,21H.
What are the key properties of N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-4-sulfonamide?
N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 383.45 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 122286500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).