N-[2-benzyl-5-(3-chloro-2-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide

C23H19ClN2O3S — CID 67623497

IUPACN-[2-benzyl-5-(3-chloro-2-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide
SMILESCc1c(Cl)cccc1-c1oc(Cc2ccccc2)nc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H19ClN2O3S/c1-16-19(13-8-14-20(16)24)22-23(26-30(27,28)18-11-6-3-7-12-18)25-21(29-22)15-17-9-4-2-5-10-17/h2-14,26H,15H2,1H3
InChIKeyNYUNRRLUGSLORX-UHFFFAOYSA-N
MW438.94 g/mol
LogP5.70
Rot. Bonds6

About N-[2-benzyl-5-(3-chloro-2-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide

N-[2-benzyl-5-(3-chloro-2-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide (PubChem CID 67623497) has the molecular formula C23H19ClN2O3S and a molecular weight of 438.94 g/mol. Its IUPAC name is N-[2-benzyl-5-(3-chloro-2-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-benzyl-5-(3-chloro-2-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide
PubChem CID67623497
Molecular FormulaC23H19ClN2O3S
Molecular Weight438.94 g/mol
Exact Mass438.08
IUPAC NameN-[2-benzyl-5-(3-chloro-2-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide
SMILESCc1c(Cl)cccc1-c1oc(Cc2ccccc2)nc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H19ClN2O3S/c1-16-19(13-8-14-20(16)24)22-23(26-30(27,28)18-11-6-3-7-12-18)25-21(29-22)15-17-9-4-2-5-10-17/h2-14,26H,15H2,1H3
InChIKeyNYUNRRLUGSLORX-UHFFFAOYSA-N
XLogP5.70
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.94
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-benzyl-5-(3-chloro-2-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide?
The IUPAC name of N-[2-benzyl-5-(3-chloro-2-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide (CID 67623497) is N-[2-benzyl-5-(3-chloro-2-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[2-benzyl-5-(3-chloro-2-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide?
The canonical SMILES for N-[2-benzyl-5-(3-chloro-2-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide is Cc1c(Cl)cccc1-c1oc(Cc2ccccc2)nc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-benzyl-5-(3-chloro-2-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide?
The InChIKey is NYUNRRLUGSLORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3S/c1-16-19(13-8-14-20(16)24)22-23(26-30(27,28)18-11-6-3-7-12-18)25-21(29-22)15-17-9-4-2-5-10-17/h2-14,26H,15H2,1H3.
What are the key properties of N-[2-benzyl-5-(3-chloro-2-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide?
N-[2-benzyl-5-(3-chloro-2-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide has a molecular weight of 438.94 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-benzyl-5-(3-chloro-2-methylphenyl)-1,3-oxazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 67623497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).