2-[[3-(dimethylsulfamoylamino)phenoxy]methyl]quinoline

C18H19N3O3S — CID 14548115

IUPAC2-[[3-(dimethylsulfamoylamino)phenoxy]methyl]quinoline
SMILESCN(C)S(=O)(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C18H19N3O3S/c1-21(2)25(22,23)20-15-7-5-8-17(12-15)24-13-16-11-10-14-6-3-4-9-18(14)19-16/h3-12,20H,13H2,1-2H3
InChIKeyHHKBMXFGACWMEA-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.03
Rot. Bonds6

About 2-[[3-(dimethylsulfamoylamino)phenoxy]methyl]quinoline

2-[[3-(dimethylsulfamoylamino)phenoxy]methyl]quinoline (PubChem CID 14548115) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-[[3-(dimethylsulfamoylamino)phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[3-(dimethylsulfamoylamino)phenoxy]methyl]quinoline
PubChem CID14548115
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name2-[[3-(dimethylsulfamoylamino)phenoxy]methyl]quinoline
SMILESCN(C)S(=O)(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C18H19N3O3S/c1-21(2)25(22,23)20-15-7-5-8-17(12-15)24-13-16-11-10-14-6-3-4-9-18(14)19-16/h3-12,20H,13H2,1-2H3
InChIKeyHHKBMXFGACWMEA-UHFFFAOYSA-N
XLogP3.03
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-dimethyl-3-[3-(quinolin-2-ylmethoxy)phenyl]urea
CID 67888713
2-[[3-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline
CID 18727386
(2S)-2-phenyl-2-[3-(quinolin-2-ylmethoxy)anilino]acetic acid
CID 57268488
N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
CID 2747568
2-[[3-(bromomethyl)phenoxy]methyl]quinoline
CID 43324683
[3-(quinolin-2-ylmethoxy)phenyl]boronic acid
CID 43327889
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid
CID 22241469
1-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one
CID 59117230
[4-(quinolin-2-ylmethoxy)phenyl]methyl methanesulfonate
CID 152710097
sodium;hydride;7-(quinolin-2-ylmethoxy)naphthalene-1-sulfonic acid
CID 173321253
3-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid
CID 57172256

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylsulfamoylamino)phenoxy]methyl]quinoline?
The IUPAC name of 2-[[3-(dimethylsulfamoylamino)phenoxy]methyl]quinoline (CID 14548115) is 2-[[3-(dimethylsulfamoylamino)phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[3-(dimethylsulfamoylamino)phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[3-(dimethylsulfamoylamino)phenoxy]methyl]quinoline is CN(C)S(=O)(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1.
What is the InChIKey of 2-[[3-(dimethylsulfamoylamino)phenoxy]methyl]quinoline?
The InChIKey is HHKBMXFGACWMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-21(2)25(22,23)20-15-7-5-8-17(12-15)24-13-16-11-10-14-6-3-4-9-18(14)19-16/h3-12,20H,13H2,1-2H3.
What are the key properties of 2-[[3-(dimethylsulfamoylamino)phenoxy]methyl]quinoline?
2-[[3-(dimethylsulfamoylamino)phenoxy]methyl]quinoline has a molecular weight of 357.44 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylsulfamoylamino)phenoxy]methyl]quinoline is sourced from PubChem (CID 14548115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).