6-chloro-N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]pyridine-3-sulfonamide

C16H13Cl2N3O3S — CID 110312503

IUPAC6-chloro-N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCCc1cc(-c2ccc(Cl)cc2)on1)c1ccc(Cl)nc1
InChIInChI=1S/C16H13Cl2N3O3S/c17-12-3-1-11(2-4-12)15-9-13(21-24-15)7-8-20-25(22,23)14-5-6-16(18)19-10-14/h1-6,9-10,20H,7-8H2
InChIKeyHKYOSCVCBBDSEE-UHFFFAOYSA-N
MW398.27 g/mol
LogP3.56
Rot. Bonds6

About 6-chloro-N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]pyridine-3-sulfonamide

6-chloro-N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]pyridine-3-sulfonamide (PubChem CID 110312503) has the molecular formula C16H13Cl2N3O3S and a molecular weight of 398.27 g/mol. Its IUPAC name is 6-chloro-N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]pyridine-3-sulfonamide
PubChem CID110312503
Molecular FormulaC16H13Cl2N3O3S
Molecular Weight398.27 g/mol
Exact Mass397.01
IUPAC Name6-chloro-N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCCc1cc(-c2ccc(Cl)cc2)on1)c1ccc(Cl)nc1
InChIInChI=1S/C16H13Cl2N3O3S/c17-12-3-1-11(2-4-12)15-9-13(21-24-15)7-8-20-25(22,23)14-5-6-16(18)19-10-14/h1-6,9-10,20H,7-8H2
InChIKeyHKYOSCVCBBDSEE-UHFFFAOYSA-N
XLogP3.56
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.27
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]pyridine-3-sulfonamide (CID 110312503) is 6-chloro-N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]pyridine-3-sulfonamide is O=S(=O)(NCCc1cc(-c2ccc(Cl)cc2)on1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]pyridine-3-sulfonamide?
The InChIKey is HKYOSCVCBBDSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O3S/c17-12-3-1-11(2-4-12)15-9-13(21-24-15)7-8-20-25(22,23)14-5-6-16(18)19-10-14/h1-6,9-10,20H,7-8H2.
What are the key properties of 6-chloro-N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]pyridine-3-sulfonamide?
6-chloro-N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]pyridine-3-sulfonamide has a molecular weight of 398.27 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 110312503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).