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

C16H13ClN2O3S — CID 1480798

IUPACN-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cc(-c2ccccc2Cl)no1)c1ccccc1
InChIInChI=1S/C16H13ClN2O3S/c17-15-9-5-4-8-14(15)16-10-12(22-19-16)11-18-23(20,21)13-6-2-1-3-7-13/h1-10,18H,11H2
InChIKeyKDAHODOKKYYJCV-UHFFFAOYSA-N
MW348.81 g/mol
LogP3.47
Rot. Bonds5

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

N-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide (PubChem CID 1480798) has the molecular formula C16H13ClN2O3S and a molecular weight of 348.81 g/mol. Its IUPAC name is N-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide
PubChem CID1480798
Molecular FormulaC16H13ClN2O3S
Molecular Weight348.81 g/mol
Exact Mass348.03
IUPAC NameN-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cc(-c2ccccc2Cl)no1)c1ccccc1
InChIInChI=1S/C16H13ClN2O3S/c17-15-9-5-4-8-14(15)16-10-12(22-19-16)11-18-23(20,21)13-6-2-1-3-7-13/h1-10,18H,11H2
InChIKeyKDAHODOKKYYJCV-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 N-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide (CID 1480798) is N-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide is O=S(=O)(NCc1cc(-c2ccccc2Cl)no1)c1ccccc1.
What is the InChIKey of N-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide?
The InChIKey is KDAHODOKKYYJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3S/c17-15-9-5-4-8-14(15)16-10-12(22-19-16)11-18-23(20,21)13-6-2-1-3-7-13/h1-10,18H,11H2.
What are the key properties of N-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide?
N-[[3-(2-chlorophenyl)-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 N-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 1480798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).