2-methoxy-N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]benzenesulfonamide

C19H18N4O5S — CID 155411211

IUPAC2-methoxy-N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1noc2cc(Cn3cccn3)cc(OC)c12
InChIInChI=1S/C19H18N4O5S/c1-26-14-6-3-4-7-17(14)29(24,25)22-19-18-15(27-2)10-13(11-16(18)28-21-19)12-23-9-5-8-20-23/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyRCBWSTJGOASLEO-UHFFFAOYSA-N
MW414.44 g/mol
LogP2.89
Rot. Bonds7

About 2-methoxy-N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]benzenesulfonamide

2-methoxy-N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]benzenesulfonamide (PubChem CID 155411211) has the molecular formula C19H18N4O5S and a molecular weight of 414.44 g/mol. Its IUPAC name is 2-methoxy-N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]benzenesulfonamide
PubChem CID155411211
Molecular FormulaC19H18N4O5S
Molecular Weight414.44 g/mol
Exact Mass414.10
IUPAC Name2-methoxy-N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1noc2cc(Cn3cccn3)cc(OC)c12
InChIInChI=1S/C19H18N4O5S/c1-26-14-6-3-4-7-17(14)29(24,25)22-19-18-15(27-2)10-13(11-16(18)28-21-19)12-23-9-5-8-20-23/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyRCBWSTJGOASLEO-UHFFFAOYSA-N
XLogP2.89
TPSA108.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]benzenesulfonamide (CID 155411211) is 2-methoxy-N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]benzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1noc2cc(Cn3cccn3)cc(OC)c12.
What is the InChIKey of 2-methoxy-N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]benzenesulfonamide?
The InChIKey is RCBWSTJGOASLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5S/c1-26-14-6-3-4-7-17(14)29(24,25)22-19-18-15(27-2)10-13(11-16(18)28-21-19)12-23-9-5-8-20-23/h3-11H,12H2,1-2H3,(H,21,22).
What are the key properties of 2-methoxy-N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]benzenesulfonamide?
2-methoxy-N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]benzenesulfonamide has a molecular weight of 414.44 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-methoxy-6-(pyrazol-1-ylmethyl)-1,2-benzoxazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 155411211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).