2-fluoro-6-methoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)benzenesulfonamide

C15H13FN2O5S — CID 146278207

IUPAC2-fluoro-6-methoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)benzenesulfonamide
SMILESCOc1cccc(F)c1S(=O)(=O)Nc1noc2cccc(OC)c12
InChIInChI=1S/C15H13FN2O5S/c1-21-10-6-4-7-11-13(10)15(17-23-11)18-24(19,20)14-9(16)5-3-8-12(14)22-2/h3-8H,1-2H3,(H,17,18)
InChIKeyBMCKDNVQXRPDIQ-UHFFFAOYSA-N
MW352.34 g/mol
LogP2.78
Rot. Bonds5

About 2-fluoro-6-methoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)benzenesulfonamide

2-fluoro-6-methoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)benzenesulfonamide (PubChem CID 146278207) has the molecular formula C15H13FN2O5S and a molecular weight of 352.34 g/mol. Its IUPAC name is 2-fluoro-6-methoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-6-methoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)benzenesulfonamide
PubChem CID146278207
Molecular FormulaC15H13FN2O5S
Molecular Weight352.34 g/mol
Exact Mass352.05
IUPAC Name2-fluoro-6-methoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)benzenesulfonamide
SMILESCOc1cccc(F)c1S(=O)(=O)Nc1noc2cccc(OC)c12
InChIInChI=1S/C15H13FN2O5S/c1-21-10-6-4-7-11-13(10)15(17-23-11)18-24(19,20)14-9(16)5-3-8-12(14)22-2/h3-8H,1-2H3,(H,17,18)
InChIKeyBMCKDNVQXRPDIQ-UHFFFAOYSA-N
XLogP2.78
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-6-methoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)benzenesulfonamide (CID 146278207) is 2-fluoro-6-methoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-6-methoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-6-methoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)benzenesulfonamide is COc1cccc(F)c1S(=O)(=O)Nc1noc2cccc(OC)c12.
What is the InChIKey of 2-fluoro-6-methoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)benzenesulfonamide?
The InChIKey is BMCKDNVQXRPDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O5S/c1-21-10-6-4-7-11-13(10)15(17-23-11)18-24(19,20)14-9(16)5-3-8-12(14)22-2/h3-8H,1-2H3,(H,17,18).
What are the key properties of 2-fluoro-6-methoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)benzenesulfonamide?
2-fluoro-6-methoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)benzenesulfonamide has a molecular weight of 352.34 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methoxy-N-(4-methoxy-1,2-benzoxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 146278207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).