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

C16H13ClN2O3S — CID 1484381

IUPAC2-chloro-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cc(-c2ccccc2)no1)c1ccccc1Cl
InChIInChI=1S/C16H13ClN2O3S/c17-14-8-4-5-9-16(14)23(20,21)18-11-13-10-15(19-22-13)12-6-2-1-3-7-12/h1-10,18H,11H2
InChIKeyPBFPJQNEMSEPDB-UHFFFAOYSA-N
MW348.81 g/mol
LogP3.47
Rot. Bonds5

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

2-chloro-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide (PubChem CID 1484381) has the molecular formula C16H13ClN2O3S and a molecular weight of 348.81 g/mol. Its IUPAC name is 2-chloro-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
PubChem CID1484381
Molecular FormulaC16H13ClN2O3S
Molecular Weight348.81 g/mol
Exact Mass348.03
IUPAC Name2-chloro-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cc(-c2ccccc2)no1)c1ccccc1Cl
InChIInChI=1S/C16H13ClN2O3S/c17-14-8-4-5-9-16(14)23(20,21)18-11-13-10-15(19-22-13)12-6-2-1-3-7-12/h1-10,18H,11H2
InChIKeyPBFPJQNEMSEPDB-UHFFFAOYSA-N
XLogP3.47
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide (CID 1484381) is 2-chloro-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide is O=S(=O)(NCc1cc(-c2ccccc2)no1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is PBFPJQNEMSEPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3S/c17-14-8-4-5-9-16(14)23(20,21)18-11-13-10-15(19-22-13)12-6-2-1-3-7-12/h1-10,18H,11H2.
What are the key properties of 2-chloro-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide?
2-chloro-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 348.81 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 1484381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).