2-chloro-4-(4-piperidin-1-ylsulfonylphenyl)phenol

C17H18ClNO3S — CID 53221589

IUPAC2-chloro-4-(4-piperidin-1-ylsulfonylphenyl)phenol
SMILESO=S(=O)(c1ccc(-c2ccc(O)c(Cl)c2)cc1)N1CCCCC1
InChIInChI=1S/C17H18ClNO3S/c18-16-12-14(6-9-17(16)20)13-4-7-15(8-5-13)23(21,22)19-10-2-1-3-11-19/h4-9,12,20H,1-3,10-11H2
InChIKeyDSGAEKICKNZQLA-UHFFFAOYSA-N
MW351.86 g/mol
LogP3.89
Rot. Bonds3

About 2-chloro-4-(4-piperidin-1-ylsulfonylphenyl)phenol

2-chloro-4-(4-piperidin-1-ylsulfonylphenyl)phenol (PubChem CID 53221589) has the molecular formula C17H18ClNO3S and a molecular weight of 351.86 g/mol. Its IUPAC name is 2-chloro-4-(4-piperidin-1-ylsulfonylphenyl)phenol.

Molecular Properties

Compound Name2-chloro-4-(4-piperidin-1-ylsulfonylphenyl)phenol
PubChem CID53221589
Molecular FormulaC17H18ClNO3S
Molecular Weight351.86 g/mol
Exact Mass351.07
IUPAC Name2-chloro-4-(4-piperidin-1-ylsulfonylphenyl)phenol
SMILESO=S(=O)(c1ccc(-c2ccc(O)c(Cl)c2)cc1)N1CCCCC1
InChIInChI=1S/C17H18ClNO3S/c18-16-12-14(6-9-17(16)20)13-4-7-15(8-5-13)23(21,22)19-10-2-1-3-11-19/h4-9,12,20H,1-3,10-11H2
InChIKeyDSGAEKICKNZQLA-UHFFFAOYSA-N
XLogP3.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-5-(4-piperidin-1-ylsulfonylphenyl)benzaldehyde
CID 53220683
2-hydroxy-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzonitrile
CID 53220260
1-[4-(4-methylphenyl)phenyl]sulfonylazepane
CID 852205
3-chloro-5-(4-piperidin-1-ylsulfonylphenyl)benzoic acid
CID 53229074
3-chloro-4-hydroxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide
CID 18116541
2-methyl-4-piperidin-1-ylsulfonylphenol
CID 138059728
2-chloro-4-morpholin-4-ylsulfonylphenol
CID 3821405
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
3-hydroxy-5-(4-pyrrolidin-1-ylsulfonylphenyl)benzoic acid
CID 53228964
1-[4-[5-[4-(azepan-1-ylsulfonyl)phenyl]furan-2-yl]phenyl]sulfonylazepane
CID 50875581
3-fluoro-5-(4-piperidin-1-ylsulfonylphenyl)benzoic acid
CID 53229065
4-(azocan-1-ylsulfonyl)benzoic acid
CID 23604687

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-piperidin-1-ylsulfonylphenyl)phenol?
The IUPAC name of 2-chloro-4-(4-piperidin-1-ylsulfonylphenyl)phenol (CID 53221589) is 2-chloro-4-(4-piperidin-1-ylsulfonylphenyl)phenol.
What is the SMILES notation for 2-chloro-4-(4-piperidin-1-ylsulfonylphenyl)phenol?
The canonical SMILES for 2-chloro-4-(4-piperidin-1-ylsulfonylphenyl)phenol is O=S(=O)(c1ccc(-c2ccc(O)c(Cl)c2)cc1)N1CCCCC1.
What is the InChIKey of 2-chloro-4-(4-piperidin-1-ylsulfonylphenyl)phenol?
The InChIKey is DSGAEKICKNZQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3S/c18-16-12-14(6-9-17(16)20)13-4-7-15(8-5-13)23(21,22)19-10-2-1-3-11-19/h4-9,12,20H,1-3,10-11H2.
What are the key properties of 2-chloro-4-(4-piperidin-1-ylsulfonylphenyl)phenol?
2-chloro-4-(4-piperidin-1-ylsulfonylphenyl)phenol has a molecular weight of 351.86 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-piperidin-1-ylsulfonylphenyl)phenol is sourced from PubChem (CID 53221589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).