4-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide

C18H18N2O3S — CID 2738171

IUPAC4-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2c(-c3ccccc3)noc2C)cc1
InChIInChI=1S/C18H18N2O3S/c1-13-8-10-16(11-9-13)24(21,22)19-12-17-14(2)23-20-18(17)15-6-4-3-5-7-15/h3-11,19H,12H2,1-2H3
InChIKeyFSSWHIRKCWZLKL-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.44
Rot. Bonds5

About 4-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide

4-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide (PubChem CID 2738171) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide
PubChem CID2738171
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name4-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2c(-c3ccccc3)noc2C)cc1
InChIInChI=1S/C18H18N2O3S/c1-13-8-10-16(11-9-13)24(21,22)19-12-17-14(2)23-20-18(17)15-6-4-3-5-7-15/h3-11,19H,12H2,1-2H3
InChIKeyFSSWHIRKCWZLKL-UHFFFAOYSA-N
XLogP3.44
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Valdecoxib
CID 119607
Parecoxib Sodium
CID 15895902
Parecoxib
CID 119828
3-(4-Methylsulfonylphenyl)-4-phenyl-5-trifluoromethylisoxazole
CID 10429020
3,5-Dimethyl-4-[(4-methylphenyl)sulfonyl-phenylmethyl]-1,2-oxazole
CID 4460128
1-Hydroxyvaldecoxib
CID 9818888
N-Cyclopentyl-5-(3,5-Dimethylisoxazol-4-Yl)-2-Methylbenzenesulfonamide
CID 53054259
3-[2-(Tert-butylsulfonyl)phenyl]-5-phenyl-4-isoxazolecarboxamide
CID 1040629
N-cyclopropyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzene-1-sulfonamide
CID 53054289
3,5-dimethyl-N-(2-phenylethyl)-N-(phenylmethyl)-4-isoxazolesulfonamide
CID 3239540
3-chloro-N-[(5-methyl-3-phenyl-4-isoxazolyl)methyl]benzenesulfonamide
CID 2738173
2-Fluoro-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 9858791

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide (CID 2738171) is 4-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2c(-c3ccccc3)noc2C)cc1.
What is the InChIKey of 4-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is FSSWHIRKCWZLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-13-8-10-16(11-9-13)24(21,22)19-12-17-14(2)23-20-18(17)15-6-4-3-5-7-15/h3-11,19H,12H2,1-2H3.
What are the key properties of 4-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide?
4-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 2738171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).