4-(4-bromophenyl)-1-(3-bromophenyl)sulfonylpiperidin-4-ol

C17H17Br2NO3S — CID 23765903

IUPAC4-(4-bromophenyl)-1-(3-bromophenyl)sulfonylpiperidin-4-ol
SMILESO=S(=O)(c1cccc(Br)c1)N1CCC(O)(c2ccc(Br)cc2)CC1
InChIInChI=1S/C17H17Br2NO3S/c18-14-6-4-13(5-7-14)17(21)8-10-20(11-9-17)24(22,23)16-3-1-2-15(19)12-16/h1-7,12,21H,8-11H2
InChIKeyUBAWNSDMEVDEFI-UHFFFAOYSA-N
MW475.20 g/mol
LogP3.88
Rot. Bonds3

About 4-(4-bromophenyl)-1-(3-bromophenyl)sulfonylpiperidin-4-ol

4-(4-bromophenyl)-1-(3-bromophenyl)sulfonylpiperidin-4-ol (PubChem CID 23765903) has the molecular formula C17H17Br2NO3S and a molecular weight of 475.20 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1-(3-bromophenyl)sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name4-(4-bromophenyl)-1-(3-bromophenyl)sulfonylpiperidin-4-ol
PubChem CID23765903
Molecular FormulaC17H17Br2NO3S
Molecular Weight475.20 g/mol
Exact Mass472.93
IUPAC Name4-(4-bromophenyl)-1-(3-bromophenyl)sulfonylpiperidin-4-ol
SMILESO=S(=O)(c1cccc(Br)c1)N1CCC(O)(c2ccc(Br)cc2)CC1
InChIInChI=1S/C17H17Br2NO3S/c18-14-6-4-13(5-7-14)17(21)8-10-20(11-9-17)24(22,23)16-3-1-2-15(19)12-16/h1-7,12,21H,8-11H2
InChIKeyUBAWNSDMEVDEFI-UHFFFAOYSA-N
XLogP3.88
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.20
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)sulfonyl-4,4-diethylpiperidine
CID 63421307
1-(3-bromophenyl)sulfonyl-N,4-dimethylpiperidin-4-amine
CID 115304834
[1-(4-bromophenyl)cyclopropyl]-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 55521560
[1-(3-bromophenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605305
1-(3-bromophenyl)sulfonylpiperidine-4-carbaldehyde
CID 63845024
8-(3-bromophenyl)sulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 3250843
1-(3-chlorophenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 3282411
1-(3-bromophenyl)sulfonyl-4-(2-fluorophenyl)sulfonylpiperazine
CID 46799835
(2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 9025380
1-benzylsulfonyl-4-(3-bromophenyl)sulfonylpiperazine
CID 26947059
[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(5-bromothiophen-2-yl)methanone
CID 26559292
[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-(3,4-dichlorophenyl)methanone
CID 26559266

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1-(3-bromophenyl)sulfonylpiperidin-4-ol?
The IUPAC name of 4-(4-bromophenyl)-1-(3-bromophenyl)sulfonylpiperidin-4-ol (CID 23765903) is 4-(4-bromophenyl)-1-(3-bromophenyl)sulfonylpiperidin-4-ol.
What is the SMILES notation for 4-(4-bromophenyl)-1-(3-bromophenyl)sulfonylpiperidin-4-ol?
The canonical SMILES for 4-(4-bromophenyl)-1-(3-bromophenyl)sulfonylpiperidin-4-ol is O=S(=O)(c1cccc(Br)c1)N1CCC(O)(c2ccc(Br)cc2)CC1.
What is the InChIKey of 4-(4-bromophenyl)-1-(3-bromophenyl)sulfonylpiperidin-4-ol?
The InChIKey is UBAWNSDMEVDEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Br2NO3S/c18-14-6-4-13(5-7-14)17(21)8-10-20(11-9-17)24(22,23)16-3-1-2-15(19)12-16/h1-7,12,21H,8-11H2.
What are the key properties of 4-(4-bromophenyl)-1-(3-bromophenyl)sulfonylpiperidin-4-ol?
4-(4-bromophenyl)-1-(3-bromophenyl)sulfonylpiperidin-4-ol has a molecular weight of 475.20 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1-(3-bromophenyl)sulfonylpiperidin-4-ol is sourced from PubChem (CID 23765903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).