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

C19H18F3N3O3S — CID 155381016

IUPACN-[2-[(dimethylamino)methyl]quinolin-8-yl]-3-(trifluoromethoxy)benzenesulfonamide
SMILESCN(C)Cc1ccc2cccc(NS(=O)(=O)c3cccc(OC(F)(F)F)c3)c2n1
InChIInChI=1S/C19H18F3N3O3S/c1-25(2)12-14-10-9-13-5-3-8-17(18(13)23-14)24-29(26,27)16-7-4-6-15(11-16)28-19(20,21)22/h3-11,24H,12H2,1-2H3
InChIKeyIZJZRCFMHHTNQQ-UHFFFAOYSA-N
MW425.43 g/mol
LogP4.00
Rot. Bonds6

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

N-[2-[(dimethylamino)methyl]quinolin-8-yl]-3-(trifluoromethoxy)benzenesulfonamide (PubChem CID 155381016) has the molecular formula C19H18F3N3O3S and a molecular weight of 425.43 g/mol. Its IUPAC name is N-[2-[(dimethylamino)methyl]quinolin-8-yl]-3-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(dimethylamino)methyl]quinolin-8-yl]-3-(trifluoromethoxy)benzenesulfonamide
PubChem CID155381016
Molecular FormulaC19H18F3N3O3S
Molecular Weight425.43 g/mol
Exact Mass425.10
IUPAC NameN-[2-[(dimethylamino)methyl]quinolin-8-yl]-3-(trifluoromethoxy)benzenesulfonamide
SMILESCN(C)Cc1ccc2cccc(NS(=O)(=O)c3cccc(OC(F)(F)F)c3)c2n1
InChIInChI=1S/C19H18F3N3O3S/c1-25(2)12-14-10-9-13-5-3-8-17(18(13)23-14)24-29(26,27)16-7-4-6-15(11-16)28-19(20,21)22/h3-11,24H,12H2,1-2H3
InChIKeyIZJZRCFMHHTNQQ-UHFFFAOYSA-N
XLogP4.00
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 78845439
N-(2,5-dimethylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31669223
N-[2-methyl-3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]acetamide
CID 86922473
N-(3-fluoro-4-pyridinyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 122135835
3-amino-N-[2-(methylaminomethyl)quinolin-8-yl]benzenesulfonamide
CID 155380991
N-ethyl-3-(trifluoromethoxy)benzenesulfonamide
CID 43243258
N-(4-methylsulfonylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 24662483
[2-[(dimethylamino)methyl]quinolin-8-yl]carbamic acid
CID 155227462
3-chloro-N-(2-methylquinolin-8-yl)benzenesulfonamide
CID 110734194
3-[[2-(methylaminomethyl)quinolin-8-yl]sulfamoyl]benzamide
CID 155381106
N-[2-(methylamino)ethyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 62659680
2,2,2-trifluoro-N-methyl-N-[2-[[8-[[4-(trifluoromethyl)phenyl]sulfonylamino]quinolin-2-yl]methylamino]acetyl]acetamide
CID 155646643

Frequently Asked Questions

What is the IUPAC name of N-[2-[(dimethylamino)methyl]quinolin-8-yl]-3-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[2-[(dimethylamino)methyl]quinolin-8-yl]-3-(trifluoromethoxy)benzenesulfonamide (CID 155381016) is N-[2-[(dimethylamino)methyl]quinolin-8-yl]-3-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[2-[(dimethylamino)methyl]quinolin-8-yl]-3-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[2-[(dimethylamino)methyl]quinolin-8-yl]-3-(trifluoromethoxy)benzenesulfonamide is CN(C)Cc1ccc2cccc(NS(=O)(=O)c3cccc(OC(F)(F)F)c3)c2n1.
What is the InChIKey of N-[2-[(dimethylamino)methyl]quinolin-8-yl]-3-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is IZJZRCFMHHTNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O3S/c1-25(2)12-14-10-9-13-5-3-8-17(18(13)23-14)24-29(26,27)16-7-4-6-15(11-16)28-19(20,21)22/h3-11,24H,12H2,1-2H3.
What are the key properties of N-[2-[(dimethylamino)methyl]quinolin-8-yl]-3-(trifluoromethoxy)benzenesulfonamide?
N-[2-[(dimethylamino)methyl]quinolin-8-yl]-3-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 425.43 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(dimethylamino)methyl]quinolin-8-yl]-3-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 155381016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).