4-[1-[methyl(quinolin-8-ylmethyl)amino]ethyl]benzenesulfonamide

C19H21N3O2S — CID 42929119

IUPAC4-[1-[methyl(quinolin-8-ylmethyl)amino]ethyl]benzenesulfonamide
SMILESCC(c1ccc(S(N)(=O)=O)cc1)N(C)Cc1cccc2cccnc12
InChIInChI=1S/C19H21N3O2S/c1-14(15-8-10-18(11-9-15)25(20,23)24)22(2)13-17-6-3-5-16-7-4-12-21-19(16)17/h3-12,14H,13H2,1-2H3,(H2,20,23,24)
InChIKeyPIGNMHLRDREEDQ-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.08
Rot. Bonds5

About 4-[1-[methyl(quinolin-8-ylmethyl)amino]ethyl]benzenesulfonamide

4-[1-[methyl(quinolin-8-ylmethyl)amino]ethyl]benzenesulfonamide (PubChem CID 42929119) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 4-[1-[methyl(quinolin-8-ylmethyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-[methyl(quinolin-8-ylmethyl)amino]ethyl]benzenesulfonamide
PubChem CID42929119
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name4-[1-[methyl(quinolin-8-ylmethyl)amino]ethyl]benzenesulfonamide
SMILESCC(c1ccc(S(N)(=O)=O)cc1)N(C)Cc1cccc2cccnc12
InChIInChI=1S/C19H21N3O2S/c1-14(15-8-10-18(11-9-15)25(20,23)24)22(2)13-17-6-3-5-16-7-4-12-21-19(16)17/h3-12,14H,13H2,1-2H3,(H2,20,23,24)
InChIKeyPIGNMHLRDREEDQ-UHFFFAOYSA-N
XLogP3.08
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(4-methylsulfonylphenyl)-N-(quinolin-8-ylmethyl)ethanamine
CID 46551770
4-[1-[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethyl]benzenesulfonamide
CID 42918150
N-(1-aminopropan-2-yl)-N-methyl-1-quinolin-8-ylmethanesulfonamide
CID 119982900
4-[(1R)-1-[(4-chlorophenyl)methyl-methylamino]ethyl]benzenesulfonamide
CID 35886708
2-bromo-N-methyl-N-(quinolin-8-ylmethyl)ethanamine
CID 80674407
4-[1-[(5-chloro-2-methoxyphenyl)methyl-methylamino]ethyl]benzenesulfonamide
CID 46615125
N,2-dimethyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 121450481
1-quinolin-8-ylpropan-2-amine
CID 63968867
N-ethyl-N-(quinolin-8-ylmethyl)ethanamine
CID 2320167
3-[methyl(quinolin-8-ylmethyl)amino]propanoic acid
CID 60987011
5-methyl-4-[[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]methyl]thiophene-2-carboxylic acid
CID 138003654
4-[(1R)-1-[methyl(2-methylprop-2-enyl)amino]ethyl]benzenesulfonamide
CID 94343786

Frequently Asked Questions

What is the IUPAC name of 4-[1-[methyl(quinolin-8-ylmethyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[1-[methyl(quinolin-8-ylmethyl)amino]ethyl]benzenesulfonamide (CID 42929119) is 4-[1-[methyl(quinolin-8-ylmethyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[1-[methyl(quinolin-8-ylmethyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[1-[methyl(quinolin-8-ylmethyl)amino]ethyl]benzenesulfonamide is CC(c1ccc(S(N)(=O)=O)cc1)N(C)Cc1cccc2cccnc12.
What is the InChIKey of 4-[1-[methyl(quinolin-8-ylmethyl)amino]ethyl]benzenesulfonamide?
The InChIKey is PIGNMHLRDREEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-14(15-8-10-18(11-9-15)25(20,23)24)22(2)13-17-6-3-5-16-7-4-12-21-19(16)17/h3-12,14H,13H2,1-2H3,(H2,20,23,24).
What are the key properties of 4-[1-[methyl(quinolin-8-ylmethyl)amino]ethyl]benzenesulfonamide?
4-[1-[methyl(quinolin-8-ylmethyl)amino]ethyl]benzenesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[methyl(quinolin-8-ylmethyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 42929119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).