1-(3-amino-5-chloro-4-methylphenyl)sulfonylpiperidin-3-ol

C12H17ClN2O3S — CID 43502770

IUPAC1-(3-amino-5-chloro-4-methylphenyl)sulfonylpiperidin-3-ol
SMILESCc1c(N)cc(S(=O)(=O)N2CCCC(O)C2)cc1Cl
InChIInChI=1S/C12H17ClN2O3S/c1-8-11(13)5-10(6-12(8)14)19(17,18)15-4-2-3-9(16)7-15/h5-6,9,16H,2-4,7,14H2,1H3
InChIKeyZTXXZMOCUDTBJV-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.38
Rot. Bonds2

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

1-(3-amino-5-chloro-4-methylphenyl)sulfonylpiperidin-3-ol (PubChem CID 43502770) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is 1-(3-amino-5-chloro-4-methylphenyl)sulfonylpiperidin-3-ol.

Molecular Properties

Compound Name1-(3-amino-5-chloro-4-methylphenyl)sulfonylpiperidin-3-ol
PubChem CID43502770
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name1-(3-amino-5-chloro-4-methylphenyl)sulfonylpiperidin-3-ol
SMILESCc1c(N)cc(S(=O)(=O)N2CCCC(O)C2)cc1Cl
InChIInChI=1S/C12H17ClN2O3S/c1-8-11(13)5-10(6-12(8)14)19(17,18)15-4-2-3-9(16)7-15/h5-6,9,16H,2-4,7,14H2,1H3
InChIKeyZTXXZMOCUDTBJV-UHFFFAOYSA-N
XLogP1.38
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.38
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-5-chloro-2-methylphenyl)sulfonylpiperidin-3-ol
CID 114378875
(3S)-1-(5-amino-4-chloro-2-methylphenyl)sulfonylpiperidin-3-ol
CID 107213866
3-chloro-5-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methylaniline
CID 62937558
(3S)-1-(3-amino-4-bromophenyl)sulfonylpiperidin-3-ol
CID 107213789
1-(2-amino-5-chlorophenyl)sulfonylpiperidin-3-ol
CID 55021128
1-(3-amino-5-chloro-4-methylphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81096444
2-chloro-4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzoic acid
CID 107216439
2,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonylaniline
CID 43109484
2-[4-(3-amino-5-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 43501308
3-[1-(3-amino-5-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]propan-1-ol
CID 62469506
1-(3-amino-4-methylphenyl)sulfonylpyrrolidin-3-ol
CID 62918017
(3S)-1-(5-amino-4-bromo-2-methylphenyl)sulfonylpiperidin-3-ol
CID 107213869

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-chloro-4-methylphenyl)sulfonylpiperidin-3-ol?
The IUPAC name of 1-(3-amino-5-chloro-4-methylphenyl)sulfonylpiperidin-3-ol (CID 43502770) is 1-(3-amino-5-chloro-4-methylphenyl)sulfonylpiperidin-3-ol.
What is the SMILES notation for 1-(3-amino-5-chloro-4-methylphenyl)sulfonylpiperidin-3-ol?
The canonical SMILES for 1-(3-amino-5-chloro-4-methylphenyl)sulfonylpiperidin-3-ol is Cc1c(N)cc(S(=O)(=O)N2CCCC(O)C2)cc1Cl.
What is the InChIKey of 1-(3-amino-5-chloro-4-methylphenyl)sulfonylpiperidin-3-ol?
The InChIKey is ZTXXZMOCUDTBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-8-11(13)5-10(6-12(8)14)19(17,18)15-4-2-3-9(16)7-15/h5-6,9,16H,2-4,7,14H2,1H3.
What are the key properties of 1-(3-amino-5-chloro-4-methylphenyl)sulfonylpiperidin-3-ol?
1-(3-amino-5-chloro-4-methylphenyl)sulfonylpiperidin-3-ol has a molecular weight of 304.80 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-chloro-4-methylphenyl)sulfonylpiperidin-3-ol is sourced from PubChem (CID 43502770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).