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

C22H19N3O3S — CID 169372698

IUPAC4-methyl-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide
SMILESCc1ccc(-c2nnc(-c3cccc(NS(=O)(=O)c4ccc(C)cc4)c3)o2)cc1
InChIInChI=1S/C22H19N3O3S/c1-15-6-10-17(11-7-15)21-23-24-22(28-21)18-4-3-5-19(14-18)25-29(26,27)20-12-8-16(2)9-13-20/h3-14,25H,1-2H3
InChIKeyLHRSJUPPJWJXKX-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.82
Rot. Bonds5

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

4-methyl-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide (PubChem CID 169372698) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is 4-methyl-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide
PubChem CID169372698
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC Name4-methyl-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide
SMILESCc1ccc(-c2nnc(-c3cccc(NS(=O)(=O)c4ccc(C)cc4)c3)o2)cc1
InChIInChI=1S/C22H19N3O3S/c1-15-6-10-17(11-7-15)21-23-24-22(28-21)18-4-3-5-19(14-18)25-29(26,27)20-12-8-16(2)9-13-20/h3-14,25H,1-2H3
InChIKeyLHRSJUPPJWJXKX-UHFFFAOYSA-N
XLogP4.82
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 110725699
4-methyl-N-(3-pyridin-4-ylphenyl)benzenesulfonamide
CID 169371905
4-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide
CID 17341987
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
N-[4-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 2231689
3-chloro-2,2-dimethyl-N-[3-[[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]phenyl]propanamide
CID 21060690
3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylamino]benzoic acid
CID 171985684
4-chloro-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]benzenesulfonamide
CID 55864644
5-[3-[(4-methylphenyl)sulfonylamino]phenyl]furan-2-carboxylic acid
CID 91688110
4-methyl-N-[5-[4-[4-[5-[(4-methylphenyl)sulfonylamino]-1,3,4-oxadiazol-2-yl]phenyl]sulfonylphenyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 14870864
3-[(4-methylphenyl)sulfonylamino]-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 121042521
4-[(4-methylphenyl)sulfonylamino]-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41004356

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide (CID 169372698) is 4-methyl-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide is Cc1ccc(-c2nnc(-c3cccc(NS(=O)(=O)c4ccc(C)cc4)c3)o2)cc1.
What is the InChIKey of 4-methyl-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide?
The InChIKey is LHRSJUPPJWJXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-15-6-10-17(11-7-15)21-23-24-22(28-21)18-4-3-5-19(14-18)25-29(26,27)20-12-8-16(2)9-13-20/h3-14,25H,1-2H3.
What are the key properties of 4-methyl-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide?
4-methyl-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide has a molecular weight of 405.48 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 169372698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).