N-[2-[methyl-[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]methanesulfonamide

C14H16F3N3O2S — CID 133401846

IUPACN-[2-[methyl-[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]methanesulfonamide
SMILESCN(CCNS(C)(=O)=O)c1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C14H16F3N3O2S/c1-20(8-7-19-23(2,21)22)13-5-6-18-12-9-10(14(15,16)17)3-4-11(12)13/h3-6,9,19H,7-8H2,1-2H3
InChIKeyYWPNRDNQGVPKTA-UHFFFAOYSA-N
MW347.36 g/mol
LogP2.24
Rot. Bonds5

About N-[2-[methyl-[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]methanesulfonamide

N-[2-[methyl-[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]methanesulfonamide (PubChem CID 133401846) has the molecular formula C14H16F3N3O2S and a molecular weight of 347.36 g/mol. Its IUPAC name is N-[2-[methyl-[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[methyl-[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]methanesulfonamide
PubChem CID133401846
Molecular FormulaC14H16F3N3O2S
Molecular Weight347.36 g/mol
Exact Mass347.09
IUPAC NameN-[2-[methyl-[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]methanesulfonamide
SMILESCN(CCNS(C)(=O)=O)c1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C14H16F3N3O2S/c1-20(8-7-19-23(2,21)22)13-5-6-18-12-9-10(14(15,16)17)3-4-11(12)13/h3-6,9,19H,7-8H2,1-2H3
InChIKeyYWPNRDNQGVPKTA-UHFFFAOYSA-N
XLogP2.24
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(2-methylsulfanylethyl)-7-(trifluoromethyl)quinolin-4-amine
CID 133412324
N,N'-dimethyl-N'-propan-2-yl-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine
CID 177479384
N,N'-dimethyl-N-propyl-N'-[7-(trifluoromethyl)quinolin-4-yl]propane-1,3-diamine
CID 177412301
N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-7-(trifluoromethyl)quinolin-4-amine
CID 133413138
N-ethyl-N-[2-[methyl-[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]-4-phenylbenzenesulfonamide
CID 123961261
N-methyl-N-(pyrazin-2-ylmethyl)-7-(trifluoromethyl)quinolin-4-amine
CID 133433816
N-methyl-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)quinolin-4-amine
CID 133401090
N-(2-ethyl-2-methylsulfonylbutyl)-7-(trifluoromethyl)quinolin-4-amine
CID 133402646
1-[2-[2-[bis(2-hydroxypropyl)amino]ethyl-[2-[2-hydroxypropyl-[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]amino]ethylamino]propan-2-ol
CID 71202655
N-[2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]ethyl]methanesulfonamide
CID 113070952
N'-(7-chloroquinolin-4-yl)-N'-methyl-N-propylethane-1,2-diamine
CID 55090859
2-[ethyl-[7-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid
CID 152740170

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl-[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[methyl-[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]methanesulfonamide (CID 133401846) is N-[2-[methyl-[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[methyl-[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[methyl-[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]methanesulfonamide is CN(CCNS(C)(=O)=O)c1ccnc2cc(C(F)(F)F)ccc12.
What is the InChIKey of N-[2-[methyl-[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]methanesulfonamide?
The InChIKey is YWPNRDNQGVPKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2S/c1-20(8-7-19-23(2,21)22)13-5-6-18-12-9-10(14(15,16)17)3-4-11(12)13/h3-6,9,19H,7-8H2,1-2H3.
What are the key properties of N-[2-[methyl-[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]methanesulfonamide?
N-[2-[methyl-[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]methanesulfonamide has a molecular weight of 347.36 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl-[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]methanesulfonamide is sourced from PubChem (CID 133401846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).