1-(3-amino-5-chloro-4-methylphenyl)sulfonyl-4-methylpiperidin-4-ol

C13H19ClN2O3S — CID 81096444

IUPAC1-(3-amino-5-chloro-4-methylphenyl)sulfonyl-4-methylpiperidin-4-ol
SMILESCc1c(N)cc(S(=O)(=O)N2CCC(C)(O)CC2)cc1Cl
InChIInChI=1S/C13H19ClN2O3S/c1-9-11(14)7-10(8-12(9)15)20(18,19)16-5-3-13(2,17)4-6-16/h7-8,17H,3-6,15H2,1-2H3
InChIKeyYWLMWVCGWIPJKS-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.77
Rot. Bonds2

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

1-(3-amino-5-chloro-4-methylphenyl)sulfonyl-4-methylpiperidin-4-ol (PubChem CID 81096444) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 1-(3-amino-5-chloro-4-methylphenyl)sulfonyl-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(3-amino-5-chloro-4-methylphenyl)sulfonyl-4-methylpiperidin-4-ol
PubChem CID81096444
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name1-(3-amino-5-chloro-4-methylphenyl)sulfonyl-4-methylpiperidin-4-ol
SMILESCc1c(N)cc(S(=O)(=O)N2CCC(C)(O)CC2)cc1Cl
InChIInChI=1S/C13H19ClN2O3S/c1-9-11(14)7-10(8-12(9)15)20(18,19)16-5-3-13(2,17)4-6-16/h7-8,17H,3-6,15H2,1-2H3
InChIKeyYWLMWVCGWIPJKS-UHFFFAOYSA-N
XLogP1.77
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.77
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

3-chloro-5-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methylaniline
CID 62937558
1-(3-amino-5-fluoro-4-methylphenyl)sulfonyl-4-methylazepan-4-ol
CID 107403556
3-chloro-5-(2,2-dimethylmorpholin-4-yl)sulfonyl-2-methylaniline
CID 43592447
2-[4-(3-amino-5-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 43501308
1-(3-amino-5-chloro-4-methylphenyl)sulfonylpiperidin-3-ol
CID 43502770
1-(3-amino-4-methylphenyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103355073
1-(5-amino-2,3-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81096527
4-methyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol
CID 81103611
1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81103770
5-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-3-methylaniline
CID 115421562
4-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-ol
CID 81097436
4-(3-amino-5-chloro-4-methylphenyl)sulfonyl-3-methylpiperazin-2-one
CID 63595113

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-chloro-4-methylphenyl)sulfonyl-4-methylpiperidin-4-ol?
The IUPAC name of 1-(3-amino-5-chloro-4-methylphenyl)sulfonyl-4-methylpiperidin-4-ol (CID 81096444) is 1-(3-amino-5-chloro-4-methylphenyl)sulfonyl-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(3-amino-5-chloro-4-methylphenyl)sulfonyl-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(3-amino-5-chloro-4-methylphenyl)sulfonyl-4-methylpiperidin-4-ol is Cc1c(N)cc(S(=O)(=O)N2CCC(C)(O)CC2)cc1Cl.
What is the InChIKey of 1-(3-amino-5-chloro-4-methylphenyl)sulfonyl-4-methylpiperidin-4-ol?
The InChIKey is YWLMWVCGWIPJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-9-11(14)7-10(8-12(9)15)20(18,19)16-5-3-13(2,17)4-6-16/h7-8,17H,3-6,15H2,1-2H3.
What are the key properties of 1-(3-amino-5-chloro-4-methylphenyl)sulfonyl-4-methylpiperidin-4-ol?
1-(3-amino-5-chloro-4-methylphenyl)sulfonyl-4-methylpiperidin-4-ol has a molecular weight of 318.83 g/mol, XLogP of 1.77, 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)sulfonyl-4-methylpiperidin-4-ol is sourced from PubChem (CID 81096444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).