N-cyclooctyl-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide

C18H24N2O4S — CID 53094869

IUPACN-cyclooctyl-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
SMILESCOc1cc(-c2ccno2)ccc1S(=O)(=O)NC1CCCCCCC1
InChIInChI=1S/C18H24N2O4S/c1-23-17-13-14(16-11-12-19-24-16)9-10-18(17)25(21,22)20-15-7-5-3-2-4-6-8-15/h9-13,15,20H,2-8H2,1H3
InChIKeyJBPHXZFWEBRQCZ-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.74
Rot. Bonds5

About N-cyclooctyl-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide

N-cyclooctyl-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide (PubChem CID 53094869) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-cyclooctyl-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclooctyl-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
PubChem CID53094869
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC NameN-cyclooctyl-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
SMILESCOc1cc(-c2ccno2)ccc1S(=O)(=O)NC1CCCCCCC1
InChIInChI=1S/C18H24N2O4S/c1-23-17-13-14(16-11-12-19-24-16)9-10-18(17)25(21,22)20-15-7-5-3-2-4-6-8-15/h9-13,15,20H,2-8H2,1H3
InChIKeyJBPHXZFWEBRQCZ-UHFFFAOYSA-N
XLogP3.74
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-4-(1,2-oxazol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 95075806
N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094864
N-cyclopentyl-2-methoxy-4-methylbenzenesulfonamide
CID 172906018
2-methoxy-N-(2-methylphenyl)-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094896
N-cyclohexyl-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53079450
N-(4-ethylphenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094876
2-methoxy-N-[(2-methoxyphenyl)methyl]-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094918
N-(2-chloro-4,6-dimethoxyphenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094946
N-cyclopentyl-2-methoxy-4-propan-2-ylbenzenesulfonamide
CID 110758409
4-(cyclopentylsulfamoyl)-3-methoxybenzoic acid
CID 102694641
N-(2-chloro-4-fluorophenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094934
N-[(2-chlorophenyl)methyl]-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094862

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of N-cyclooctyl-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide (CID 53094869) is N-cyclooctyl-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-cyclooctyl-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-cyclooctyl-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide is COc1cc(-c2ccno2)ccc1S(=O)(=O)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide?
The InChIKey is JBPHXZFWEBRQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-23-17-13-14(16-11-12-19-24-16)9-10-18(17)25(21,22)20-15-7-5-3-2-4-6-8-15/h9-13,15,20H,2-8H2,1H3.
What are the key properties of N-cyclooctyl-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide?
N-cyclooctyl-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide has a molecular weight of 364.47 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 53094869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).