5-[[4-(difluoromethylsulfonyl)anilino]methyl]-N,N-dimethylpyridin-2-amine

C15H17F2N3O2S — CID 47053671

IUPAC5-[[4-(difluoromethylsulfonyl)anilino]methyl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(CNc2ccc(S(=O)(=O)C(F)F)cc2)cn1
InChIInChI=1S/C15H17F2N3O2S/c1-20(2)14-8-3-11(10-19-14)9-18-12-4-6-13(7-5-12)23(21,22)15(16)17/h3-8,10,15,18H,9H2,1-2H3
InChIKeyVPELRESULPMURJ-UHFFFAOYSA-N
MW341.38 g/mol
LogP2.76
Rot. Bonds6

About 5-[[4-(difluoromethylsulfonyl)anilino]methyl]-N,N-dimethylpyridin-2-amine

5-[[4-(difluoromethylsulfonyl)anilino]methyl]-N,N-dimethylpyridin-2-amine (PubChem CID 47053671) has the molecular formula C15H17F2N3O2S and a molecular weight of 341.38 g/mol. Its IUPAC name is 5-[[4-(difluoromethylsulfonyl)anilino]methyl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-[[4-(difluoromethylsulfonyl)anilino]methyl]-N,N-dimethylpyridin-2-amine
PubChem CID47053671
Molecular FormulaC15H17F2N3O2S
Molecular Weight341.38 g/mol
Exact Mass341.10
IUPAC Name5-[[4-(difluoromethylsulfonyl)anilino]methyl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(CNc2ccc(S(=O)(=O)C(F)F)cc2)cn1
InChIInChI=1S/C15H17F2N3O2S/c1-20(2)14-8-3-11(10-19-14)9-18-12-4-6-13(7-5-12)23(21,22)15(16)17/h3-8,10,15,18H,9H2,1-2H3
InChIKeyVPELRESULPMURJ-UHFFFAOYSA-N
XLogP2.76
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[4-(difluoromethylsulfonyl)anilino]methyl]-N,N-dimethylpyridin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

4-[3-[4-(difluoromethylsulfonyl)anilino]propyl]-N,N-dimethylaniline
CID 55827331
4-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]phenol
CID 43690428
N-[(3-chloro-4-fluorophenyl)methyl]-4-(difluoromethylsulfonyl)aniline
CID 133282763
4-(difluoromethylsulfonyl)-N-(1H-1,2,4-triazol-5-ylmethyl)aniline
CID 54884844
4-(difluoromethylsulfonyl)-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62759433
4-(difluoromethylsulfonyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]aniline
CID 43683897
1-[4-(benzenesulfonyl)phenyl]-3-[[6-(dimethylamino)-3-pyridinyl]methyl]urea
CID 66614451
4-(difluoromethylsulfonyl)-N-(thiadiazol-4-ylmethyl)aniline
CID 43683901
4-(difluoromethylsulfonyl)-N-(pyridazin-3-ylmethyl)aniline
CID 106832775
4-[[4-(difluoromethylsulfonyl)anilino]methyl]-1-methylpyrazol-5-amine
CID 79529335
3-chloro-4-(difluoromethoxy)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]benzenesulfonamide
CID 55681797
4-(difluoromethylsulfonyl)-N-(2-propan-2-yloxyethyl)aniline
CID 104576936

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(difluoromethylsulfonyl)anilino]methyl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 5-[[4-(difluoromethylsulfonyl)anilino]methyl]-N,N-dimethylpyridin-2-amine (CID 47053671) is 5-[[4-(difluoromethylsulfonyl)anilino]methyl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 5-[[4-(difluoromethylsulfonyl)anilino]methyl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 5-[[4-(difluoromethylsulfonyl)anilino]methyl]-N,N-dimethylpyridin-2-amine is CN(C)c1ccc(CNc2ccc(S(=O)(=O)C(F)F)cc2)cn1.
What is the InChIKey of 5-[[4-(difluoromethylsulfonyl)anilino]methyl]-N,N-dimethylpyridin-2-amine?
The InChIKey is VPELRESULPMURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O2S/c1-20(2)14-8-3-11(10-19-14)9-18-12-4-6-13(7-5-12)23(21,22)15(16)17/h3-8,10,15,18H,9H2,1-2H3.
What are the key properties of 5-[[4-(difluoromethylsulfonyl)anilino]methyl]-N,N-dimethylpyridin-2-amine?
5-[[4-(difluoromethylsulfonyl)anilino]methyl]-N,N-dimethylpyridin-2-amine has a molecular weight of 341.38 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(difluoromethylsulfonyl)anilino]methyl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 47053671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).