N,N-dimethyl-3-[1-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide

C17H20F3N3O2S — CID 167897810

IUPACN,N-dimethyl-3-[1-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide
SMILESCc1cc(C(F)(F)F)cc(NC(C)c2cccc(S(=O)(=O)N(C)C)c2)n1
InChIInChI=1S/C17H20F3N3O2S/c1-11-8-14(17(18,19)20)10-16(21-11)22-12(2)13-6-5-7-15(9-13)26(24,25)23(3)4/h5-10,12H,1-4H3,(H,21,22)
InChIKeyGUXDUYRLQUJOGC-UHFFFAOYSA-N
MW387.43 g/mol
LogP3.83
Rot. Bonds5

About N,N-dimethyl-3-[1-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide

N,N-dimethyl-3-[1-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide (PubChem CID 167897810) has the molecular formula C17H20F3N3O2S and a molecular weight of 387.43 g/mol. Its IUPAC name is N,N-dimethyl-3-[1-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[1-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide
PubChem CID167897810
Molecular FormulaC17H20F3N3O2S
Molecular Weight387.43 g/mol
Exact Mass387.12
IUPAC NameN,N-dimethyl-3-[1-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide
SMILESCc1cc(C(F)(F)F)cc(NC(C)c2cccc(S(=O)(=O)N(C)C)c2)n1
InChIInChI=1S/C17H20F3N3O2S/c1-11-8-14(17(18,19)20)10-16(21-11)22-12(2)13-6-5-7-15(9-13)26(24,25)23(3)4/h5-10,12H,1-4H3,(H,21,22)
InChIKeyGUXDUYRLQUJOGC-UHFFFAOYSA-N
XLogP3.83
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-[1-[(5-oxo-6,7-dihydrocyclopenta[b]pyridin-2-yl)amino]ethyl]benzenesulfonamide
CID 146132988
2-N-methyl-6-N-(1-phenylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717290
3-[(1S)-1-(1H-indazol-5-ylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 97338549
N-[1-(3-bromophenyl)ethyl]-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562409
3-[methyl(propan-2-yl)sulfamoyl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 112764022
4-N-[1-(3-bromophenyl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564530
3-[1-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]ethyl]benzenesulfonamide
CID 71862589
3-[1-[[2-(hydroxymethyl)phenyl]methylamino]ethyl]-N,N-dimethylbenzenesulfonamide
CID 111521852
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 134028925
3-[1-[(4-methoxycyclohexyl)amino]ethyl]-N,N-dimethylbenzenesulfonamide
CID 91660415
4-(3-methoxy-4-methylphenyl)-6-[1-[3-[3-(trifluoromethyl)phenyl]phenyl]ethylamino]pyrimidine-2-carbonitrile
CID 144667922
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 60535017

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[1-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-[1-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide (CID 167897810) is N,N-dimethyl-3-[1-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[1-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-[1-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide is Cc1cc(C(F)(F)F)cc(NC(C)c2cccc(S(=O)(=O)N(C)C)c2)n1.
What is the InChIKey of N,N-dimethyl-3-[1-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide?
The InChIKey is GUXDUYRLQUJOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O2S/c1-11-8-14(17(18,19)20)10-16(21-11)22-12(2)13-6-5-7-15(9-13)26(24,25)23(3)4/h5-10,12H,1-4H3,(H,21,22).
What are the key properties of N,N-dimethyl-3-[1-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide?
N,N-dimethyl-3-[1-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide has a molecular weight of 387.43 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[1-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 167897810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).