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

C17H15ClN2O3S — CID 2738173

IUPAC3-chloro-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide
SMILESCc1onc(-c2ccccc2)c1CNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H15ClN2O3S/c1-12-16(17(20-23-12)13-6-3-2-4-7-13)11-19-24(21,22)15-9-5-8-14(18)10-15/h2-10,19H,11H2,1H3
InChIKeyASTDUHHRCLLLMU-UHFFFAOYSA-N
MW362.84 g/mol
LogP3.78
Rot. Bonds5

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

3-chloro-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide (PubChem CID 2738173) has the molecular formula C17H15ClN2O3S and a molecular weight of 362.84 g/mol. Its IUPAC name is 3-chloro-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide
PubChem CID2738173
Molecular FormulaC17H15ClN2O3S
Molecular Weight362.84 g/mol
Exact Mass362.05
IUPAC Name3-chloro-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide
SMILESCc1onc(-c2ccccc2)c1CNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H15ClN2O3S/c1-12-16(17(20-23-12)13-6-3-2-4-7-13)11-19-24(21,22)15-9-5-8-14(18)10-15/h2-10,19H,11H2,1H3
InChIKeyASTDUHHRCLLLMU-UHFFFAOYSA-N
XLogP3.78
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide (CID 2738173) is 3-chloro-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide is Cc1onc(-c2ccccc2)c1CNS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is ASTDUHHRCLLLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3S/c1-12-16(17(20-23-12)13-6-3-2-4-7-13)11-19-24(21,22)15-9-5-8-14(18)10-15/h2-10,19H,11H2,1H3.
What are the key properties of 3-chloro-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide?
3-chloro-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 362.84 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 2738173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).