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

C16H11Cl3N2O3S — CID 1480826

IUPAC2,5-dichloro-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cc(-c2ccc(Cl)cc2)no1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H11Cl3N2O3S/c17-11-3-1-10(2-4-11)15-8-13(24-21-15)9-20-25(22,23)16-7-12(18)5-6-14(16)19/h1-8,20H,9H2
InChIKeyAHZDVPKMOQQEBS-UHFFFAOYSA-N
MW417.70 g/mol
LogP4.78
Rot. Bonds5

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

2,5-dichloro-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide (PubChem CID 1480826) has the molecular formula C16H11Cl3N2O3S and a molecular weight of 417.70 g/mol. Its IUPAC name is 2,5-dichloro-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide
PubChem CID1480826
Molecular FormulaC16H11Cl3N2O3S
Molecular Weight417.70 g/mol
Exact Mass415.96
IUPAC Name2,5-dichloro-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cc(-c2ccc(Cl)cc2)no1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H11Cl3N2O3S/c17-11-3-1-10(2-4-11)15-8-13(24-21-15)9-20-25(22,23)16-7-12(18)5-6-14(16)19/h1-8,20H,9H2
InChIKeyAHZDVPKMOQQEBS-UHFFFAOYSA-N
XLogP4.78
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.70
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide (CID 1480826) is 2,5-dichloro-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide is O=S(=O)(NCc1cc(-c2ccc(Cl)cc2)no1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide?
The InChIKey is AHZDVPKMOQQEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3N2O3S/c17-11-3-1-10(2-4-11)15-8-13(24-21-15)9-20-25(22,23)16-7-12(18)5-6-14(16)19/h1-8,20H,9H2.
What are the key properties of 2,5-dichloro-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide?
2,5-dichloro-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide has a molecular weight of 417.70 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 1480826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).