(5-bromo-2-hydroxyphenyl)-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone

C17H16BrClN2O4S — CID 27163262

IUPAC(5-bromo-2-hydroxyphenyl)-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1cc(Br)ccc1O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H16BrClN2O4S/c18-12-4-5-16(22)15(10-12)17(23)20-6-8-21(9-7-20)26(24,25)14-3-1-2-13(19)11-14/h1-5,10-11,22H,6-9H2
InChIKeyOKOQVZDUGUIZIY-UHFFFAOYSA-N
MW459.75 g/mol
LogP2.95
Rot. Bonds3

About (5-bromo-2-hydroxyphenyl)-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone

(5-bromo-2-hydroxyphenyl)-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 27163262) has the molecular formula C17H16BrClN2O4S and a molecular weight of 459.75 g/mol. Its IUPAC name is (5-bromo-2-hydroxyphenyl)-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-2-hydroxyphenyl)-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID27163262
Molecular FormulaC17H16BrClN2O4S
Molecular Weight459.75 g/mol
Exact Mass457.97
IUPAC Name(5-bromo-2-hydroxyphenyl)-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1cc(Br)ccc1O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H16BrClN2O4S/c18-12-4-5-16(22)15(10-12)17(23)20-6-8-21(9-7-20)26(24,25)14-3-1-2-13(19)11-14/h1-5,10-11,22H,6-9H2
InChIKeyOKOQVZDUGUIZIY-UHFFFAOYSA-N
XLogP2.95
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.75
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 27829270
[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-(2,3-dichlorophenyl)methanone
CID 27562409
(5-chloro-2-hydroxyphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 18105471
[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 17461395
[1-(4-bromophenyl)cyclopropyl]-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 55521560
(4-chloro-2-nitrophenyl)-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 27562395
[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(3,4-dichlorophenyl)methanone
CID 26559266
[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 31852143
(5-chloro-2-hydroxyphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 47122991
(5-bromo-2-chlorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 17249306
[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 26559299
4-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]-1-methylquinolin-2-one
CID 55754602

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-hydroxyphenyl)-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (5-bromo-2-hydroxyphenyl)-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone (CID 27163262) is (5-bromo-2-hydroxyphenyl)-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (5-bromo-2-hydroxyphenyl)-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (5-bromo-2-hydroxyphenyl)-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone is O=C(c1cc(Br)ccc1O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of (5-bromo-2-hydroxyphenyl)-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is OKOQVZDUGUIZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2O4S/c18-12-4-5-16(22)15(10-12)17(23)20-6-8-21(9-7-20)26(24,25)14-3-1-2-13(19)11-14/h1-5,10-11,22H,6-9H2.
What are the key properties of (5-bromo-2-hydroxyphenyl)-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone?
(5-bromo-2-hydroxyphenyl)-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 459.75 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-hydroxyphenyl)-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 27163262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).