1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidin-4-ol

C11H14ClFN2O3S — CID 43257232

IUPAC1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidin-4-ol
SMILESNc1cc(Cl)c(F)c(S(=O)(=O)N2CCC(O)CC2)c1
InChIInChI=1S/C11H14ClFN2O3S/c12-9-5-7(14)6-10(11(9)13)19(17,18)15-3-1-8(16)2-4-15/h5-6,8,16H,1-4,14H2
InChIKeyIMYKEEAYBBANFH-UHFFFAOYSA-N
MW308.76 g/mol
LogP1.21
Rot. Bonds2

About 1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidin-4-ol

1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidin-4-ol (PubChem CID 43257232) has the molecular formula C11H14ClFN2O3S and a molecular weight of 308.76 g/mol. Its IUPAC name is 1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidin-4-ol
PubChem CID43257232
Molecular FormulaC11H14ClFN2O3S
Molecular Weight308.76 g/mol
Exact Mass308.04
IUPAC Name1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidin-4-ol
SMILESNc1cc(Cl)c(F)c(S(=O)(=O)N2CCC(O)CC2)c1
InChIInChI=1S/C11H14ClFN2O3S/c12-9-5-7(14)6-10(11(9)13)19(17,18)15-3-1-8(16)2-4-15/h5-6,8,16H,1-4,14H2
InChIKeyIMYKEEAYBBANFH-UHFFFAOYSA-N
XLogP1.21
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 51.21
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-fluorophenyl)sulfonylpiperidin-4-ol
CID 28524129
1-(5-Amino-2,4-difluorophenyl)sulfonylpiperidin-4-ol
CID 29779476
1-(5-Amino-2-fluorophenyl)sulfonylpiperidin-4-ol
CID 43255391
3-Chloro-4-fluoro-5-(4-methylpiperidin-1-yl)sulfonylaniline
CID 43256811
3-Chloro-4-fluoro-5-pyrrolidin-1-ylsulfonylaniline
CID 43256821
3-Chloro-4-fluoro-5-morpholin-4-ylsulfonylaniline
CID 43256882
5-amino-3-chloro-N,N-diethyl-2-fluorobenzenesulfonamide
CID 43256891
3-Chloro-4-fluoro-5-(2-methylpiperidin-1-yl)sulfonylaniline
CID 43256912
3-Chloro-4-fluoro-5-(4-methylpiperazin-1-yl)sulfonylaniline
CID 43256943
3-Chloro-5-(2,6-dimethylmorpholin-4-yl)sulfonyl-4-fluoroaniline
CID 43257068
3-Chloro-4-fluoro-5-(3-methylpiperidin-1-yl)sulfonylaniline
CID 43257078
3-(Azepan-1-ylsulfonyl)-5-chloro-4-fluoroaniline
CID 43257099

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidin-4-ol?
The IUPAC name of 1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidin-4-ol (CID 43257232) is 1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidin-4-ol.
What is the SMILES notation for 1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidin-4-ol?
The canonical SMILES for 1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidin-4-ol is Nc1cc(Cl)c(F)c(S(=O)(=O)N2CCC(O)CC2)c1.
What is the InChIKey of 1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidin-4-ol?
The InChIKey is IMYKEEAYBBANFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O3S/c12-9-5-7(14)6-10(11(9)13)19(17,18)15-3-1-8(16)2-4-15/h5-6,8,16H,1-4,14H2.
What are the key properties of 1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidin-4-ol?
1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidin-4-ol has a molecular weight of 308.76 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-3-chloro-2-fluorophenyl)sulfonylpiperidin-4-ol is sourced from PubChem (CID 43257232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).