3-[5-(3,3-difluoropiperidin-1-yl)sulfonyl-2,4-dimethylphenyl]pyridin-4-amine

C18H21F2N3O2S — CID 171915077

IUPAC3-[5-(3,3-difluoropiperidin-1-yl)sulfonyl-2,4-dimethylphenyl]pyridin-4-amine
SMILESCc1cc(C)c(S(=O)(=O)N2CCCC(F)(F)C2)cc1-c1cnccc1N
InChIInChI=1S/C18H21F2N3O2S/c1-12-8-13(2)17(9-14(12)15-10-22-6-4-16(15)21)26(24,25)23-7-3-5-18(19,20)11-23/h4,6,8-10H,3,5,7,11H2,1-2H3,(H2,21,22)
InChIKeyYFUNSOWRZJWBAP-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.37
Rot. Bonds3

About 3-[5-(3,3-difluoropiperidin-1-yl)sulfonyl-2,4-dimethylphenyl]pyridin-4-amine

3-[5-(3,3-difluoropiperidin-1-yl)sulfonyl-2,4-dimethylphenyl]pyridin-4-amine (PubChem CID 171915077) has the molecular formula C18H21F2N3O2S and a molecular weight of 381.45 g/mol. Its IUPAC name is 3-[5-(3,3-difluoropiperidin-1-yl)sulfonyl-2,4-dimethylphenyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[5-(3,3-difluoropiperidin-1-yl)sulfonyl-2,4-dimethylphenyl]pyridin-4-amine
PubChem CID171915077
Molecular FormulaC18H21F2N3O2S
Molecular Weight381.45 g/mol
Exact Mass381.13
IUPAC Name3-[5-(3,3-difluoropiperidin-1-yl)sulfonyl-2,4-dimethylphenyl]pyridin-4-amine
SMILESCc1cc(C)c(S(=O)(=O)N2CCCC(F)(F)C2)cc1-c1cnccc1N
InChIInChI=1S/C18H21F2N3O2S/c1-12-8-13(2)17(9-14(12)15-10-22-6-4-16(15)21)26(24,25)23-7-3-5-18(19,20)11-23/h4,6,8-10H,3,5,7,11H2,1-2H3,(H2,21,22)
InChIKeyYFUNSOWRZJWBAP-UHFFFAOYSA-N
XLogP3.37
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[5-(3,3-difluoropiperidin-1-yl)sulfonyl-2,4-dimethylphenyl]pyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,3-difluoropiperidin-1-yl)sulfonyl-2,4-dimethylphenyl]pyridin-4-amine?
The IUPAC name of 3-[5-(3,3-difluoropiperidin-1-yl)sulfonyl-2,4-dimethylphenyl]pyridin-4-amine (CID 171915077) is 3-[5-(3,3-difluoropiperidin-1-yl)sulfonyl-2,4-dimethylphenyl]pyridin-4-amine.
What is the SMILES notation for 3-[5-(3,3-difluoropiperidin-1-yl)sulfonyl-2,4-dimethylphenyl]pyridin-4-amine?
The canonical SMILES for 3-[5-(3,3-difluoropiperidin-1-yl)sulfonyl-2,4-dimethylphenyl]pyridin-4-amine is Cc1cc(C)c(S(=O)(=O)N2CCCC(F)(F)C2)cc1-c1cnccc1N.
What is the InChIKey of 3-[5-(3,3-difluoropiperidin-1-yl)sulfonyl-2,4-dimethylphenyl]pyridin-4-amine?
The InChIKey is YFUNSOWRZJWBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O2S/c1-12-8-13(2)17(9-14(12)15-10-22-6-4-16(15)21)26(24,25)23-7-3-5-18(19,20)11-23/h4,6,8-10H,3,5,7,11H2,1-2H3,(H2,21,22).
What are the key properties of 3-[5-(3,3-difluoropiperidin-1-yl)sulfonyl-2,4-dimethylphenyl]pyridin-4-amine?
3-[5-(3,3-difluoropiperidin-1-yl)sulfonyl-2,4-dimethylphenyl]pyridin-4-amine has a molecular weight of 381.45 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,3-difluoropiperidin-1-yl)sulfonyl-2,4-dimethylphenyl]pyridin-4-amine is sourced from PubChem (CID 171915077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).