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

C18H18N2O3S — CID 20958761

IUPACN-benzyl-N-methyl-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESCc1ncc(-c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)o1
InChIInChI=1S/C18H18N2O3S/c1-14-19-12-18(23-14)16-8-10-17(11-9-16)24(21,22)20(2)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3
InChIKeyOHHBIYXGFLTGDZ-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.47
Rot. Bonds5

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

N-benzyl-N-methyl-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide (PubChem CID 20958761) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-benzyl-N-methyl-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
PubChem CID20958761
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-benzyl-N-methyl-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
SMILESCc1ncc(-c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)o1
InChIInChI=1S/C18H18N2O3S/c1-14-19-12-18(23-14)16-8-10-17(11-9-16)24(21,22)20(2)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3
InChIKeyOHHBIYXGFLTGDZ-UHFFFAOYSA-N
XLogP3.47
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958862
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylbenzenesulfonamide
CID 51228013
1-N,4-N-dibenzyl-4-N-ethyl-1-N-methylbenzene-1,4-disulfonamide
CID 1167043
N-benzyl-N-methyl-2-(methylamino)pyrimidine-5-sulfonamide
CID 62150452
N-benzyl-4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-N-methylbenzenesulfonamide
CID 168582182
N,4-dimethyl-N-(quinolin-3-ylmethyl)benzenesulfonamide
CID 110733912
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17491199
N-benzyl-N-[2-[benzyl-(4-methylphenyl)sulfonylamino]ethynyl]-4-methylbenzenesulfonamide
CID 162397950
N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846883
N-benzyl-4-(5-ethyl-2-phosphanylphenyl)-N-methylbenzenesulfonamide
CID 54331699
N-[(4-chlorophenyl)methyl]-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 20958766
4-methoxy-N-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
CID 20955807

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of N-benzyl-N-methyl-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide (CID 20958761) is N-benzyl-N-methyl-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-N-methyl-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-benzyl-N-methyl-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide is Cc1ncc(-c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)o1.
What is the InChIKey of N-benzyl-N-methyl-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
The InChIKey is OHHBIYXGFLTGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-14-19-12-18(23-14)16-8-10-17(11-9-16)24(21,22)20(2)13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide?
N-benzyl-N-methyl-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 20958761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).