2-chloro-6-[(2-methoxy-5-phenylphenyl)methylsulfonyl]-4-(1,3-oxazol-2-yl)phenol

C23H18ClNO5S — CID 153492290

IUPAC2-chloro-6-[(2-methoxy-5-phenylphenyl)methylsulfonyl]-4-(1,3-oxazol-2-yl)phenol
SMILESCOc1ccc(-c2ccccc2)cc1CS(=O)(=O)c1cc(-c2ncco2)cc(Cl)c1O
InChIInChI=1S/C23H18ClNO5S/c1-29-20-8-7-16(15-5-3-2-4-6-15)11-18(20)14-31(27,28)21-13-17(12-19(24)22(21)26)23-25-9-10-30-23/h2-13,26H,14H2,1H3
InChIKeyLGLPUXIUGBCBTC-UHFFFAOYSA-N
MW455.92 g/mol
LogP5.35
Rot. Bonds6

About 2-chloro-6-[(2-methoxy-5-phenylphenyl)methylsulfonyl]-4-(1,3-oxazol-2-yl)phenol

2-chloro-6-[(2-methoxy-5-phenylphenyl)methylsulfonyl]-4-(1,3-oxazol-2-yl)phenol (PubChem CID 153492290) has the molecular formula C23H18ClNO5S and a molecular weight of 455.92 g/mol. Its IUPAC name is 2-chloro-6-[(2-methoxy-5-phenylphenyl)methylsulfonyl]-4-(1,3-oxazol-2-yl)phenol.

Molecular Properties

Compound Name2-chloro-6-[(2-methoxy-5-phenylphenyl)methylsulfonyl]-4-(1,3-oxazol-2-yl)phenol
PubChem CID153492290
Molecular FormulaC23H18ClNO5S
Molecular Weight455.92 g/mol
Exact Mass455.06
IUPAC Name2-chloro-6-[(2-methoxy-5-phenylphenyl)methylsulfonyl]-4-(1,3-oxazol-2-yl)phenol
SMILESCOc1ccc(-c2ccccc2)cc1CS(=O)(=O)c1cc(-c2ncco2)cc(Cl)c1O
InChIInChI=1S/C23H18ClNO5S/c1-29-20-8-7-16(15-5-3-2-4-6-15)11-18(20)14-31(27,28)21-13-17(12-19(24)22(21)26)23-25-9-10-30-23/h2-13,26H,14H2,1H3
InChIKeyLGLPUXIUGBCBTC-UHFFFAOYSA-N
XLogP5.35
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.92
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]phenol
CID 160808013
methyl 3-[(2-methoxy-5-phenylphenyl)methylsulfonyl]benzoate
CID 157359654
3-[(2-chlorophenyl)sulfonylmethyl]-4-methoxyaniline
CID 43444174
N-[(2-chlorophenyl)methyl]-2-[2-methoxy-4-(1,3-oxazol-2-yl)phenyl]ethanamine
CID 168972875
2-chloro-4-(1,3-oxazol-2-yl)phenol
CID 137195866
3,5-dichloro-2-hydroxy-N-(2-methoxy-4-phenylphenyl)benzenesulfonamide
CID 146545964
N-(benzenesulfonyl)-N-[(2-methoxy-5-phenylphenyl)methyl]benzenesulfonamide
CID 135064174
4-chloro-6-[(2-fluoro-5-phenylphenyl)methylsulfonyl]benzene-1,3-diol
CID 157399683
[3-chloro-5-[(2-fluoro-5-phenylphenyl)methylsulfonyl]-4-hydroxyphenyl]-[(3R)-3-methoxypyrrolidin-1-yl]methanone
CID 159352050
2-[(2-methoxyphenyl)methylsulfonyl]phenol
CID 174818780
5-[3-chloro-5-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenyl]-2H-tetrazole;3-chloro-5-[(2-fluoro-5-phenylphenyl)methylsulfonyl]-4-methoxybenzoic acid;5-[3-chloro-4-methoxy-5-[(2-methoxy-5-phenylphenyl)methylsulfonyl]phenyl]-2H-tetrazole;2-chloro-6-[(2-methoxy-5-phenylphenyl)methylsulfonyl]-4-(2H-tetrazol-5-yl)phenol;2,4-dichloro-6-[(2-fluoro-5-methylphenyl)methylsulfonyl]phenol;methyl 3-chloro-5-[(2-fluoro-4-methylphenyl)methylsulfonyl]-4-hydroxybenzoate
CID 160884912
2-(2-methoxy-5-phenylphenyl)ethanimidamide
CID 91757147

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2-methoxy-5-phenylphenyl)methylsulfonyl]-4-(1,3-oxazol-2-yl)phenol?
The IUPAC name of 2-chloro-6-[(2-methoxy-5-phenylphenyl)methylsulfonyl]-4-(1,3-oxazol-2-yl)phenol (CID 153492290) is 2-chloro-6-[(2-methoxy-5-phenylphenyl)methylsulfonyl]-4-(1,3-oxazol-2-yl)phenol.
What is the SMILES notation for 2-chloro-6-[(2-methoxy-5-phenylphenyl)methylsulfonyl]-4-(1,3-oxazol-2-yl)phenol?
The canonical SMILES for 2-chloro-6-[(2-methoxy-5-phenylphenyl)methylsulfonyl]-4-(1,3-oxazol-2-yl)phenol is COc1ccc(-c2ccccc2)cc1CS(=O)(=O)c1cc(-c2ncco2)cc(Cl)c1O.
What is the InChIKey of 2-chloro-6-[(2-methoxy-5-phenylphenyl)methylsulfonyl]-4-(1,3-oxazol-2-yl)phenol?
The InChIKey is LGLPUXIUGBCBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO5S/c1-29-20-8-7-16(15-5-3-2-4-6-15)11-18(20)14-31(27,28)21-13-17(12-19(24)22(21)26)23-25-9-10-30-23/h2-13,26H,14H2,1H3.
What are the key properties of 2-chloro-6-[(2-methoxy-5-phenylphenyl)methylsulfonyl]-4-(1,3-oxazol-2-yl)phenol?
2-chloro-6-[(2-methoxy-5-phenylphenyl)methylsulfonyl]-4-(1,3-oxazol-2-yl)phenol has a molecular weight of 455.92 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(2-methoxy-5-phenylphenyl)methylsulfonyl]-4-(1,3-oxazol-2-yl)phenol is sourced from PubChem (CID 153492290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).