4-chloro-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-propylbenzenesulfonamide

C17H17ClN2O4S — CID 26675758

IUPAC4-chloro-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-propylbenzenesulfonamide
SMILESCCCN(Cc1cc(-c2ccco2)on1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O4S/c1-2-9-20(25(21,22)15-7-5-13(18)6-8-15)12-14-11-17(24-19-14)16-4-3-10-23-16/h3-8,10-11H,2,9,12H2,1H3
InChIKeyYNILMJLQQBPAIZ-UHFFFAOYSA-N
MW380.85 g/mol
LogP4.19
Rot. Bonds7

About 4-chloro-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-propylbenzenesulfonamide

4-chloro-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-propylbenzenesulfonamide (PubChem CID 26675758) has the molecular formula C17H17ClN2O4S and a molecular weight of 380.85 g/mol. Its IUPAC name is 4-chloro-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-propylbenzenesulfonamide
PubChem CID26675758
Molecular FormulaC17H17ClN2O4S
Molecular Weight380.85 g/mol
Exact Mass380.06
IUPAC Name4-chloro-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-propylbenzenesulfonamide
SMILESCCCN(Cc1cc(-c2ccco2)on1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O4S/c1-2-9-20(25(21,22)15-7-5-13(18)6-8-15)12-14-11-17(24-19-14)16-4-3-10-23-16/h3-8,10-11H,2,9,12H2,1H3
InChIKeyYNILMJLQQBPAIZ-UHFFFAOYSA-N
XLogP4.19
TPSA76.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.85
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-propylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-propylbenzenesulfonamide (CID 26675758) is 4-chloro-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-propylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-propylbenzenesulfonamide is CCCN(Cc1cc(-c2ccco2)on1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-propylbenzenesulfonamide?
The InChIKey is YNILMJLQQBPAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4S/c1-2-9-20(25(21,22)15-7-5-13(18)6-8-15)12-14-11-17(24-19-14)16-4-3-10-23-16/h3-8,10-11H,2,9,12H2,1H3.
What are the key properties of 4-chloro-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-propylbenzenesulfonamide?
4-chloro-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-propylbenzenesulfonamide has a molecular weight of 380.85 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-propylbenzenesulfonamide is sourced from PubChem (CID 26675758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).