4-(3-hydroxyphenyl)sulfonylpiperazine-1-carboxylic acid

C11H14N2O5S — CID 18473250

IUPAC4-(3-hydroxyphenyl)sulfonylpiperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(S(=O)(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C11H14N2O5S/c14-9-2-1-3-10(8-9)19(17,18)13-6-4-12(5-7-13)11(15)16/h1-3,8,14H,4-7H2,(H,15,16)
InChIKeyBLSOLLODZBMXIG-UHFFFAOYSA-N
MW286.31 g/mol
LogP0.38
Rot. Bonds2

About 4-(3-hydroxyphenyl)sulfonylpiperazine-1-carboxylic acid

4-(3-hydroxyphenyl)sulfonylpiperazine-1-carboxylic acid (PubChem CID 18473250) has the molecular formula C11H14N2O5S and a molecular weight of 286.31 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)sulfonylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)sulfonylpiperazine-1-carboxylic acid
PubChem CID18473250
Molecular FormulaC11H14N2O5S
Molecular Weight286.31 g/mol
Exact Mass286.06
IUPAC Name4-(3-hydroxyphenyl)sulfonylpiperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(S(=O)(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C11H14N2O5S/c14-9-2-1-3-10(8-9)19(17,18)13-6-4-12(5-7-13)11(15)16/h1-3,8,14H,4-7H2,(H,15,16)
InChIKeyBLSOLLODZBMXIG-UHFFFAOYSA-N
XLogP0.38
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-hydroxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 106670534
3-(3-pyrrolidin-1-ylsulfonylphenyl)phenol
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CID 4741575
4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylic acid
CID 54489815
1-(3-hydroxyphenyl)sulfonylpyrrolidin-3-ol
CID 81258512
[4-(benzenesulfonyl)piperazin-1-yl]-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 55339492
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 78804141
3-(3,4,5-trimethylpiperazin-1-yl)sulfonylphenol
CID 114538277
3-[4-(benzenesulfonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 9496000
[4-(3-aminophenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone
CID 61113905
3-pyrrolidin-1-ylsulfonylbenzoyl chloride
CID 18801888
[4-(benzenesulfonyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 2225542

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyphenyl)sulfonylpiperazine-1-carboxylic acid?
The IUPAC name of 4-(3-hydroxyphenyl)sulfonylpiperazine-1-carboxylic acid (CID 18473250) is 4-(3-hydroxyphenyl)sulfonylpiperazine-1-carboxylic acid.
What is the SMILES notation for 4-(3-hydroxyphenyl)sulfonylpiperazine-1-carboxylic acid?
The canonical SMILES for 4-(3-hydroxyphenyl)sulfonylpiperazine-1-carboxylic acid is O=C(O)N1CCN(S(=O)(=O)c2cccc(O)c2)CC1.
What is the InChIKey of 4-(3-hydroxyphenyl)sulfonylpiperazine-1-carboxylic acid?
The InChIKey is BLSOLLODZBMXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S/c14-9-2-1-3-10(8-9)19(17,18)13-6-4-12(5-7-13)11(15)16/h1-3,8,14H,4-7H2,(H,15,16).
What are the key properties of 4-(3-hydroxyphenyl)sulfonylpiperazine-1-carboxylic acid?
4-(3-hydroxyphenyl)sulfonylpiperazine-1-carboxylic acid has a molecular weight of 286.31 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyphenyl)sulfonylpiperazine-1-carboxylic acid is sourced from PubChem (CID 18473250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).