N-[2-[(dimethylamino)methyl]quinolin-8-yl]-3-(trifluoromethyl)benzenesulfonamide

C19H18F3N3O2S — CID 142609934

IUPACN-[2-[(dimethylamino)methyl]quinolin-8-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCN(C)Cc1ccc2cccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)c2n1
InChIInChI=1S/C19H18F3N3O2S/c1-25(2)12-15-10-9-13-5-3-8-17(18(13)23-15)24-28(26,27)16-7-4-6-14(11-16)19(20,21)22/h3-11,24H,12H2,1-2H3
InChIKeyUAVWJKDEPBHFHC-UHFFFAOYSA-N
MW409.43 g/mol
LogP4.12
Rot. Bonds5

About N-[2-[(dimethylamino)methyl]quinolin-8-yl]-3-(trifluoromethyl)benzenesulfonamide

N-[2-[(dimethylamino)methyl]quinolin-8-yl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 142609934) has the molecular formula C19H18F3N3O2S and a molecular weight of 409.43 g/mol. Its IUPAC name is N-[2-[(dimethylamino)methyl]quinolin-8-yl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(dimethylamino)methyl]quinolin-8-yl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID142609934
Molecular FormulaC19H18F3N3O2S
Molecular Weight409.43 g/mol
Exact Mass409.11
IUPAC NameN-[2-[(dimethylamino)methyl]quinolin-8-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCN(C)Cc1ccc2cccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)c2n1
InChIInChI=1S/C19H18F3N3O2S/c1-25(2)12-15-10-9-13-5-3-8-17(18(13)23-15)24-28(26,27)16-7-4-6-14(11-16)19(20,21)22/h3-11,24H,12H2,1-2H3
InChIKeyUAVWJKDEPBHFHC-UHFFFAOYSA-N
XLogP4.12
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(dimethylamino)methyl]quinolin-8-yl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-[(dimethylamino)methyl]quinolin-8-yl]-3-(trifluoromethyl)benzenesulfonamide (CID 142609934) is N-[2-[(dimethylamino)methyl]quinolin-8-yl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-[(dimethylamino)methyl]quinolin-8-yl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-[(dimethylamino)methyl]quinolin-8-yl]-3-(trifluoromethyl)benzenesulfonamide is CN(C)Cc1ccc2cccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)c2n1.
What is the InChIKey of N-[2-[(dimethylamino)methyl]quinolin-8-yl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is UAVWJKDEPBHFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2S/c1-25(2)12-15-10-9-13-5-3-8-17(18(13)23-15)24-28(26,27)16-7-4-6-14(11-16)19(20,21)22/h3-11,24H,12H2,1-2H3.
What are the key properties of N-[2-[(dimethylamino)methyl]quinolin-8-yl]-3-(trifluoromethyl)benzenesulfonamide?
N-[2-[(dimethylamino)methyl]quinolin-8-yl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 409.43 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(dimethylamino)methyl]quinolin-8-yl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 142609934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).