2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide

C15H15N3O3S2 — CID 20974264

IUPAC2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(-c3csc(C)n3)ccc2C)no1
InChIInChI=1S/C15H15N3O3S2/c1-9-4-5-12(13-8-22-11(3)16-13)7-14(9)23(19,20)18-15-6-10(2)21-17-15/h4-8H,1-3H3,(H,17,18)
InChIKeyNQFHTVHXCRVAHO-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.52
Rot. Bonds4

About 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide

2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide (PubChem CID 20974264) has the molecular formula C15H15N3O3S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
PubChem CID20974264
Molecular FormulaC15H15N3O3S2
Molecular Weight349.44 g/mol
Exact Mass349.06
IUPAC Name2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(-c3csc(C)n3)ccc2C)no1
InChIInChI=1S/C15H15N3O3S2/c1-9-4-5-12(13-8-22-11(3)16-13)7-14(9)23(19,20)18-15-6-10(2)21-17-15/h4-8H,1-3H3,(H,17,18)
InChIKeyNQFHTVHXCRVAHO-UHFFFAOYSA-N
XLogP3.52
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-(2-methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 15560939
N-(3-bromophenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 20974284
N-(3-chloro-4-methoxyphenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 20974263
N-(3,4-dichloro-1H-indol-7-yl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 164863451
4-methyl-3-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzoic acid
CID 8823584
2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 53117968
4-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-methyl-1,3-thiazole
CID 20974210
4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 2214183
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 20974200
N-(2,4-dimethylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-2-propan-2-ylbenzenesulfonamide
CID 53036276
6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 51703439
5-tert-butyl-2-methyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 2436322

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide?
The IUPAC name of 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide (CID 20974264) is 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2cc(-c3csc(C)n3)ccc2C)no1.
What is the InChIKey of 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide?
The InChIKey is NQFHTVHXCRVAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S2/c1-9-4-5-12(13-8-22-11(3)16-13)7-14(9)23(19,20)18-15-6-10(2)21-17-15/h4-8H,1-3H3,(H,17,18).
What are the key properties of 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide?
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide has a molecular weight of 349.44 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 20974264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).