4-[6-(4-chlorophenyl)sulfonyl-1,3-benzoxazol-2-yl]phenol

C19H12ClNO4S — CID 142716097

IUPAC4-[6-(4-chlorophenyl)sulfonyl-1,3-benzoxazol-2-yl]phenol
SMILESO=S(=O)(c1ccc(Cl)cc1)c1ccc2nc(-c3ccc(O)cc3)oc2c1
InChIInChI=1S/C19H12ClNO4S/c20-13-3-7-15(8-4-13)26(23,24)16-9-10-17-18(11-16)25-19(21-17)12-1-5-14(22)6-2-12/h1-11,22H
InChIKeyZRTSUVNPKHLWSG-UHFFFAOYSA-N
MW385.83 g/mol
LogP4.69
Rot. Bonds3

About 4-[6-(4-chlorophenyl)sulfonyl-1,3-benzoxazol-2-yl]phenol

4-[6-(4-chlorophenyl)sulfonyl-1,3-benzoxazol-2-yl]phenol (PubChem CID 142716097) has the molecular formula C19H12ClNO4S and a molecular weight of 385.83 g/mol. Its IUPAC name is 4-[6-(4-chlorophenyl)sulfonyl-1,3-benzoxazol-2-yl]phenol.

Molecular Properties

Compound Name4-[6-(4-chlorophenyl)sulfonyl-1,3-benzoxazol-2-yl]phenol
PubChem CID142716097
Molecular FormulaC19H12ClNO4S
Molecular Weight385.83 g/mol
Exact Mass385.02
IUPAC Name4-[6-(4-chlorophenyl)sulfonyl-1,3-benzoxazol-2-yl]phenol
SMILESO=S(=O)(c1ccc(Cl)cc1)c1ccc2nc(-c3ccc(O)cc3)oc2c1
InChIInChI=1S/C19H12ClNO4S/c20-13-3-7-15(8-4-13)26(23,24)16-9-10-17-18(11-16)25-19(21-17)12-1-5-14(22)6-2-12/h1-11,22H
InChIKeyZRTSUVNPKHLWSG-UHFFFAOYSA-N
XLogP4.69
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[4-[6-(4-chlorophenyl)sulfonyl-1,3-benzoxazol-2-yl]phenyl]propanoate
CID 142715876
2-(3-chlorophenyl)-6-[[2-(3-chlorophenyl)-1,3-benzoxazol-6-yl]sulfonyl]-1,3-benzoxazole
CID 141112908
4-[4-(4-chlorophenyl)sulfonylphenyl]phenol
CID 10450227
2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole
CID 4154393
2-(4-chlorophenyl)-1,3-benzoxazole-6-carbaldehyde
CID 12703739
2-pyridin-4-yl-1,3-benzoxazole-6-sulfonyl chloride
CID 82358057
2-(3-chlorophenyl)-1,3-benzoxazole-6-sulfonyl chloride
CID 82358054
5-chloro-2-(4-methylsulfonylphenyl)-1,3-benzoxazole
CID 67331973
N-[4-(6-chloro-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzenesulfonamide
CID 146733141
2-(4-bromophenyl)-6-chloro-1,3-benzoxazole
CID 53497105
2-(4-fluorophenyl)-5-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole
CID 17297014
(4-chlorophenyl)-(2-phenyl-1,3-benzoxazol-6-yl)methanone
CID 142481869

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-chlorophenyl)sulfonyl-1,3-benzoxazol-2-yl]phenol?
The IUPAC name of 4-[6-(4-chlorophenyl)sulfonyl-1,3-benzoxazol-2-yl]phenol (CID 142716097) is 4-[6-(4-chlorophenyl)sulfonyl-1,3-benzoxazol-2-yl]phenol.
What is the SMILES notation for 4-[6-(4-chlorophenyl)sulfonyl-1,3-benzoxazol-2-yl]phenol?
The canonical SMILES for 4-[6-(4-chlorophenyl)sulfonyl-1,3-benzoxazol-2-yl]phenol is O=S(=O)(c1ccc(Cl)cc1)c1ccc2nc(-c3ccc(O)cc3)oc2c1.
What is the InChIKey of 4-[6-(4-chlorophenyl)sulfonyl-1,3-benzoxazol-2-yl]phenol?
The InChIKey is ZRTSUVNPKHLWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClNO4S/c20-13-3-7-15(8-4-13)26(23,24)16-9-10-17-18(11-16)25-19(21-17)12-1-5-14(22)6-2-12/h1-11,22H.
What are the key properties of 4-[6-(4-chlorophenyl)sulfonyl-1,3-benzoxazol-2-yl]phenol?
4-[6-(4-chlorophenyl)sulfonyl-1,3-benzoxazol-2-yl]phenol has a molecular weight of 385.83 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-chlorophenyl)sulfonyl-1,3-benzoxazol-2-yl]phenol is sourced from PubChem (CID 142716097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).