N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-phenylmethanesulfonamide

C16H13ClN2O3S — CID 110402597

IUPACN-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1oncc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O3S/c17-14-8-6-13(7-9-14)15-10-18-22-16(15)19-23(20,21)11-12-4-2-1-3-5-12/h1-10,19H,11H2
InChIKeyOINBJGHRGYDZNH-UHFFFAOYSA-N
MW348.81 g/mol
LogP3.94
Rot. Bonds5

About N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-phenylmethanesulfonamide

N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-phenylmethanesulfonamide (PubChem CID 110402597) has the molecular formula C16H13ClN2O3S and a molecular weight of 348.81 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-phenylmethanesulfonamide
PubChem CID110402597
Molecular FormulaC16H13ClN2O3S
Molecular Weight348.81 g/mol
Exact Mass348.03
IUPAC NameN-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1oncc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O3S/c17-14-8-6-13(7-9-14)15-10-18-22-16(15)19-23(20,21)11-12-4-2-1-3-5-12/h1-10,19H,11H2
InChIKeyOINBJGHRGYDZNH-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-phenylmethanesulfonamide (CID 110402597) is N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)Nc1oncc1-c1ccc(Cl)cc1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-phenylmethanesulfonamide?
The InChIKey is OINBJGHRGYDZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3S/c17-14-8-6-13(7-9-14)15-10-18-22-16(15)19-23(20,21)11-12-4-2-1-3-5-12/h1-10,19H,11H2.
What are the key properties of N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-phenylmethanesulfonamide?
N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-phenylmethanesulfonamide has a molecular weight of 348.81 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 110402597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).