4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,4-dimethylphenyl)benzenesulfonamide

C20H20N2O3S — CID 20959080

IUPAC4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,4-dimethylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)c(C)c1
InChIInChI=1S/C20H20N2O3S/c1-13-3-10-18(14(2)11-13)22-26(23,24)17-8-6-15(7-9-17)19-12-21-20(25-19)16-4-5-16/h3,6-12,16,22H,4-5H2,1-2H3
InChIKeyQFFVHKKISUAOTO-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.64
Rot. Bonds5

About 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,4-dimethylphenyl)benzenesulfonamide

4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,4-dimethylphenyl)benzenesulfonamide (PubChem CID 20959080) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,4-dimethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,4-dimethylphenyl)benzenesulfonamide
PubChem CID20959080
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,4-dimethylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)c(C)c1
InChIInChI=1S/C20H20N2O3S/c1-13-3-10-18(14(2)11-13)22-26(23,24)17-8-6-15(7-9-17)19-12-21-20(25-19)16-4-5-16/h3,6-12,16,22H,4-5H2,1-2H3
InChIKeyQFFVHKKISUAOTO-UHFFFAOYSA-N
XLogP4.64
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,4-dimethylphenyl)benzenesulfonamide?
The IUPAC name of 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,4-dimethylphenyl)benzenesulfonamide (CID 20959080) is 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,4-dimethylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,4-dimethylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,4-dimethylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)c(C)c1.
What is the InChIKey of 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,4-dimethylphenyl)benzenesulfonamide?
The InChIKey is QFFVHKKISUAOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-13-3-10-18(14(2)11-13)22-26(23,24)17-8-6-15(7-9-17)19-12-21-20(25-19)16-4-5-16/h3,6-12,16,22H,4-5H2,1-2H3.
What are the key properties of 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,4-dimethylphenyl)benzenesulfonamide?
4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,4-dimethylphenyl)benzenesulfonamide has a molecular weight of 368.46 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,4-dimethylphenyl)benzenesulfonamide is sourced from PubChem (CID 20959080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).