N-[(2-chlorophenyl)methyl]-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide

C17H15ClN2O4S — CID 53094862

IUPACN-[(2-chlorophenyl)methyl]-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
SMILESCOc1cc(-c2ccno2)ccc1S(=O)(=O)NCc1ccccc1Cl
InChIInChI=1S/C17H15ClN2O4S/c1-23-16-10-12(15-8-9-19-24-15)6-7-17(16)25(21,22)20-11-13-4-2-3-5-14(13)18/h2-10,20H,11H2,1H3
InChIKeyUEGFIUBLELWINM-UHFFFAOYSA-N
MW378.84 g/mol
LogP3.48
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide

N-[(2-chlorophenyl)methyl]-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide (PubChem CID 53094862) has the molecular formula C17H15ClN2O4S and a molecular weight of 378.84 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
PubChem CID53094862
Molecular FormulaC17H15ClN2O4S
Molecular Weight378.84 g/mol
Exact Mass378.04
IUPAC NameN-[(2-chlorophenyl)methyl]-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
SMILESCOc1cc(-c2ccno2)ccc1S(=O)(=O)NCc1ccccc1Cl
InChIInChI=1S/C17H15ClN2O4S/c1-23-16-10-12(15-8-9-19-24-15)6-7-17(16)25(21,22)20-11-13-4-2-3-5-14(13)18/h2-10,20H,11H2,1H3
InChIKeyUEGFIUBLELWINM-UHFFFAOYSA-N
XLogP3.48
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.84
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[(2-methoxyphenyl)methyl]-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094918
N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094864
N-(2-chloro-4,6-dimethoxyphenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094946
2-methoxy-N-(2-methylphenyl)-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094896
N-(2-chloro-4-fluorophenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094934
2-methoxy-4-(1,2-oxazol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 95075806
N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 16644774
N-(4-ethylphenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094876
N-cyclooctyl-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094869
4-chloro-N-[(2-methoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 19680723
N-[(2-methoxyphenyl)methyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 53111981
2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 6468216

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide (CID 53094862) is N-[(2-chlorophenyl)methyl]-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide is COc1cc(-c2ccno2)ccc1S(=O)(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide?
The InChIKey is UEGFIUBLELWINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O4S/c1-23-16-10-12(15-8-9-19-24-15)6-7-17(16)25(21,22)20-11-13-4-2-3-5-14(13)18/h2-10,20H,11H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide?
N-[(2-chlorophenyl)methyl]-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide has a molecular weight of 378.84 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 53094862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).