4-(4-chlorophenyl)-1-[(7-quinolin-8-yl-2,1,3-benzoxadiazol-4-yl)sulfonyl]piperidin-4-ol

C26H21ClN4O4S — CID 69189284

IUPAC4-(4-chlorophenyl)-1-[(7-quinolin-8-yl-2,1,3-benzoxadiazol-4-yl)sulfonyl]piperidin-4-ol
SMILESO=S(=O)(c1ccc(-c2cccc3cccnc23)c2nonc12)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H21ClN4O4S/c27-19-8-6-18(7-9-19)26(32)12-15-31(16-13-26)36(33,34)22-11-10-21(24-25(22)30-35-29-24)20-5-1-3-17-4-2-14-28-23(17)20/h1-11,14,32H,12-13,15-16H2
InChIKeyWWTRACGZIWKWHQ-UHFFFAOYSA-N
MW521.00 g/mol
LogP4.76
Rot. Bonds4

About 4-(4-chlorophenyl)-1-[(7-quinolin-8-yl-2,1,3-benzoxadiazol-4-yl)sulfonyl]piperidin-4-ol

4-(4-chlorophenyl)-1-[(7-quinolin-8-yl-2,1,3-benzoxadiazol-4-yl)sulfonyl]piperidin-4-ol (PubChem CID 69189284) has the molecular formula C26H21ClN4O4S and a molecular weight of 521.00 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[(7-quinolin-8-yl-2,1,3-benzoxadiazol-4-yl)sulfonyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[(7-quinolin-8-yl-2,1,3-benzoxadiazol-4-yl)sulfonyl]piperidin-4-ol
PubChem CID69189284
Molecular FormulaC26H21ClN4O4S
Molecular Weight521.00 g/mol
Exact Mass520.10
IUPAC Name4-(4-chlorophenyl)-1-[(7-quinolin-8-yl-2,1,3-benzoxadiazol-4-yl)sulfonyl]piperidin-4-ol
SMILESO=S(=O)(c1ccc(-c2cccc3cccnc23)c2nonc12)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H21ClN4O4S/c27-19-8-6-18(7-9-19)26(32)12-15-31(16-13-26)36(33,34)22-11-10-21(24-25(22)30-35-29-24)20-5-1-3-17-4-2-14-28-23(17)20/h1-11,14,32H,12-13,15-16H2
InChIKeyWWTRACGZIWKWHQ-UHFFFAOYSA-N
XLogP4.76
TPSA109.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.00
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(4-chlorophenyl)-1-[(7-quinolin-8-yl-2,1,3-benzoxadiazol-4-yl)sulfonyl]piperidin-4-ol with MolForge

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Related Compounds

4-(4-methylphenyl)-1-[(7-quinolin-8-ylsulfanyl-2,1,3-benzoxadiazol-4-yl)sulfonyl]piperidin-4-ol
CID 145477633
4-(2-chlorophenyl)-1-[(7-quinolin-8-ylsulfanyl-2,1,3-benzoxadiazol-4-yl)sulfonyl]piperidin-4-ol
CID 69190519
2-(2,4-dichlorophenyl)-8-quinolin-8-ylsulfonyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 66815862
8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
8-quinolin-8-ylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 22772866
8-(4-methyl-4-phenylpiperidin-1-yl)sulfonylquinoline
CID 18338372
1-[[7-(4-ethoxyphenyl)sulfanyl-2,1,3-benzoxadiazol-4-yl]sulfonyl]-4-(4-methoxyphenyl)piperidin-4-ol
CID 25072094
8-piperidin-1-ylsulfonylquinoline
CID 768759
4,8-bis(quinolin-8-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 46198949
[4-(4-chlorophenyl)piperazin-1-yl]-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone
CID 5308706
8-[[4-[5-[(4-chlorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-1,4-diazepan-1-yl]sulfonyl]quinoline
CID 3430823
4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole
CID 22772831

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[(7-quinolin-8-yl-2,1,3-benzoxadiazol-4-yl)sulfonyl]piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-[(7-quinolin-8-yl-2,1,3-benzoxadiazol-4-yl)sulfonyl]piperidin-4-ol (CID 69189284) is 4-(4-chlorophenyl)-1-[(7-quinolin-8-yl-2,1,3-benzoxadiazol-4-yl)sulfonyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[(7-quinolin-8-yl-2,1,3-benzoxadiazol-4-yl)sulfonyl]piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-[(7-quinolin-8-yl-2,1,3-benzoxadiazol-4-yl)sulfonyl]piperidin-4-ol is O=S(=O)(c1ccc(-c2cccc3cccnc23)c2nonc12)N1CCC(O)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[(7-quinolin-8-yl-2,1,3-benzoxadiazol-4-yl)sulfonyl]piperidin-4-ol?
The InChIKey is WWTRACGZIWKWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN4O4S/c27-19-8-6-18(7-9-19)26(32)12-15-31(16-13-26)36(33,34)22-11-10-21(24-25(22)30-35-29-24)20-5-1-3-17-4-2-14-28-23(17)20/h1-11,14,32H,12-13,15-16H2.
What are the key properties of 4-(4-chlorophenyl)-1-[(7-quinolin-8-yl-2,1,3-benzoxadiazol-4-yl)sulfonyl]piperidin-4-ol?
4-(4-chlorophenyl)-1-[(7-quinolin-8-yl-2,1,3-benzoxadiazol-4-yl)sulfonyl]piperidin-4-ol has a molecular weight of 521.00 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[(7-quinolin-8-yl-2,1,3-benzoxadiazol-4-yl)sulfonyl]piperidin-4-ol is sourced from PubChem (CID 69189284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).