1-(3-amino-4-chlorophenyl)sulfonylpiperidin-4-ol

C11H15ClN2O3S — CID 29048073

IUPAC1-(3-amino-4-chlorophenyl)sulfonylpiperidin-4-ol
SMILESNc1cc(S(=O)(=O)N2CCC(O)CC2)ccc1Cl
InChIInChI=1S/C11H15ClN2O3S/c12-10-2-1-9(7-11(10)13)18(16,17)14-5-3-8(15)4-6-14/h1-2,7-8,15H,3-6,13H2
InChIKeyZOJIAUIYDHCSOH-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.07
Rot. Bonds2

About 1-(3-amino-4-chlorophenyl)sulfonylpiperidin-4-ol

1-(3-amino-4-chlorophenyl)sulfonylpiperidin-4-ol (PubChem CID 29048073) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is 1-(3-amino-4-chlorophenyl)sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name1-(3-amino-4-chlorophenyl)sulfonylpiperidin-4-ol
PubChem CID29048073
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name1-(3-amino-4-chlorophenyl)sulfonylpiperidin-4-ol
SMILESNc1cc(S(=O)(=O)N2CCC(O)CC2)ccc1Cl
InChIInChI=1S/C11H15ClN2O3S/c12-10-2-1-9(7-11(10)13)18(16,17)14-5-3-8(15)4-6-14/h1-2,7-8,15H,3-6,13H2
InChIKeyZOJIAUIYDHCSOH-UHFFFAOYSA-N
XLogP1.07
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-amino-4-hydroxyphenyl)sulfonylpiperidin-4-ol
CID 29052125
2-chloro-5-pyrrolidin-1-ylsulfonylaniline
CID 2963514
5-(4-benzylpiperidin-1-yl)sulfonyl-2-chloroaniline
CID 23120376
2-chloro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)aniline
CID 66391099
1-(3-amino-4-chlorophenyl)sulfonyl-3-cyclopropylazetidin-3-ol
CID 107212622
2-chloro-5-(3-methylpiperidin-1-yl)sulfonylaniline
CID 43095930
1-(3-amino-4-methylphenyl)sulfonylpyrrolidin-3-ol
CID 62918017
5-(8-azaspiro[4.5]decan-8-ylsulfonyl)-2-chloroaniline
CID 63156801
(3S)-1-(3-amino-4-ethylphenyl)sulfonylpyrrolidin-3-ol
CID 107212087
1-(2-aminoquinolin-6-yl)sulfonylpiperidin-4-ol
CID 62143522
2-chloro-5-(4,4-diethylpiperidin-1-yl)sulfonylaniline
CID 63157067
(2-chloro-5-piperidin-1-ylsulfonylphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 78802539

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-chlorophenyl)sulfonylpiperidin-4-ol?
The IUPAC name of 1-(3-amino-4-chlorophenyl)sulfonylpiperidin-4-ol (CID 29048073) is 1-(3-amino-4-chlorophenyl)sulfonylpiperidin-4-ol.
What is the SMILES notation for 1-(3-amino-4-chlorophenyl)sulfonylpiperidin-4-ol?
The canonical SMILES for 1-(3-amino-4-chlorophenyl)sulfonylpiperidin-4-ol is Nc1cc(S(=O)(=O)N2CCC(O)CC2)ccc1Cl.
What is the InChIKey of 1-(3-amino-4-chlorophenyl)sulfonylpiperidin-4-ol?
The InChIKey is ZOJIAUIYDHCSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c12-10-2-1-9(7-11(10)13)18(16,17)14-5-3-8(15)4-6-14/h1-2,7-8,15H,3-6,13H2.
What are the key properties of 1-(3-amino-4-chlorophenyl)sulfonylpiperidin-4-ol?
1-(3-amino-4-chlorophenyl)sulfonylpiperidin-4-ol has a molecular weight of 290.77 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-chlorophenyl)sulfonylpiperidin-4-ol is sourced from PubChem (CID 29048073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).