N-[2-(1,2-oxazol-3-ylmethoxy)phenyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide

C20H17N3O5S — CID 29020989

IUPACN-[2-(1,2-oxazol-3-ylmethoxy)phenyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccon1)c1ccccc1OCc1ccon1
InChIInChI=1S/C20H17N3O5S/c24-29(25,18-6-2-1-3-7-18)23(14-16-10-12-27-21-16)19-8-4-5-9-20(19)26-15-17-11-13-28-22-17/h1-13H,14-15H2
InChIKeyLGYCMEVSQOBTMI-UHFFFAOYSA-N
MW411.44 g/mol
LogP3.64
Rot. Bonds8

About N-[2-(1,2-oxazol-3-ylmethoxy)phenyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide

N-[2-(1,2-oxazol-3-ylmethoxy)phenyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide (PubChem CID 29020989) has the molecular formula C20H17N3O5S and a molecular weight of 411.44 g/mol. Its IUPAC name is N-[2-(1,2-oxazol-3-ylmethoxy)phenyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1,2-oxazol-3-ylmethoxy)phenyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
PubChem CID29020989
Molecular FormulaC20H17N3O5S
Molecular Weight411.44 g/mol
Exact Mass411.09
IUPAC NameN-[2-(1,2-oxazol-3-ylmethoxy)phenyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccon1)c1ccccc1OCc1ccon1
InChIInChI=1S/C20H17N3O5S/c24-29(25,18-6-2-1-3-7-18)23(14-16-10-12-27-21-16)19-8-4-5-9-20(19)26-15-17-11-13-28-22-17/h1-13H,14-15H2
InChIKeyLGYCMEVSQOBTMI-UHFFFAOYSA-N
XLogP3.64
TPSA98.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-N-(2-phenylmethoxyphenyl)benzenesulfonamide
CID 91359794
2-chloro-N-(2-methoxyphenyl)-N-(1,2-oxazol-3-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide
CID 78881130
N-methyl-N-(1,2-oxazol-3-ylmethyl)sulfamoyl chloride
CID 165491085
methyl 5-[[N-(benzenesulfonyl)-2-methoxyanilino]methyl]furan-2-carboxylate
CID 2671799
4-amino-N-benzyl-N-(2-methoxyphenyl)benzenesulfonamide
CID 100591343
N-(2-ethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 1120540
N-(2-ethoxyphenyl)-N-ethyl-4-methylbenzenesulfonamide
CID 35767256
3-[N-(benzenesulfonyl)-2-methoxyanilino]propanoic acid
CID 50891113
N-(2-hydroxyphenyl)-4-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 108781422
1-(1,2-oxazol-3-yl)-N-[(2-phenoxyphenyl)methyl]methanesulfonamide
CID 71997691
N-(3-bromo-1-benzothiophen-2-yl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 66907283
2-[[2-[N-(benzenesulfonyl)-2-ethoxyanilino]acetyl]amino]benzamide
CID 126029637

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2-oxazol-3-ylmethoxy)phenyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
The IUPAC name of N-[2-(1,2-oxazol-3-ylmethoxy)phenyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide (CID 29020989) is N-[2-(1,2-oxazol-3-ylmethoxy)phenyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(1,2-oxazol-3-ylmethoxy)phenyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(1,2-oxazol-3-ylmethoxy)phenyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide is O=S(=O)(c1ccccc1)N(Cc1ccon1)c1ccccc1OCc1ccon1.
What is the InChIKey of N-[2-(1,2-oxazol-3-ylmethoxy)phenyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
The InChIKey is LGYCMEVSQOBTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5S/c24-29(25,18-6-2-1-3-7-18)23(14-16-10-12-27-21-16)19-8-4-5-9-20(19)26-15-17-11-13-28-22-17/h1-13H,14-15H2.
What are the key properties of N-[2-(1,2-oxazol-3-ylmethoxy)phenyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
N-[2-(1,2-oxazol-3-ylmethoxy)phenyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide has a molecular weight of 411.44 g/mol, XLogP of 3.64, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2-oxazol-3-ylmethoxy)phenyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 29020989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).