2-(quinolin-7-yloxymethyl)butane-1-sulfonamide

C14H18N2O3S — CID 107315542

IUPAC2-(quinolin-7-yloxymethyl)butane-1-sulfonamide
SMILESCCC(COc1ccc2cccnc2c1)CS(N)(=O)=O
InChIInChI=1S/C14H18N2O3S/c1-2-11(10-20(15,17)18)9-19-13-6-5-12-4-3-7-16-14(12)8-13/h3-8,11H,2,9-10H2,1H3,(H2,15,17,18)
InChIKeyBWPAIHPSJPJJOQ-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.93
Rot. Bonds6

About 2-(quinolin-7-yloxymethyl)butane-1-sulfonamide

2-(quinolin-7-yloxymethyl)butane-1-sulfonamide (PubChem CID 107315542) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-(quinolin-7-yloxymethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name2-(quinolin-7-yloxymethyl)butane-1-sulfonamide
PubChem CID107315542
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name2-(quinolin-7-yloxymethyl)butane-1-sulfonamide
SMILESCCC(COc1ccc2cccnc2c1)CS(N)(=O)=O
InChIInChI=1S/C14H18N2O3S/c1-2-11(10-20(15,17)18)9-19-13-6-5-12-4-3-7-16-14(12)8-13/h3-8,11H,2,9-10H2,1H3,(H2,15,17,18)
InChIKeyBWPAIHPSJPJJOQ-UHFFFAOYSA-N
XLogP1.93
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(2,2-diethoxyethoxy)quinoline
CID 107314200
2-(methylamino)-3-quinolin-7-yloxypropanoic acid
CID 107314757
1-(3-methylphenyl)-2-quinolin-7-yloxyethanol
CID 107314538
3-quinolin-7-yloxypropanal
CID 107314214
1-cyclopentyl-2-quinolin-7-yloxyethanamine
CID 107313426
N-ethyl-6-quinolin-7-yloxyhexan-3-amine
CID 107313514
7-[(2R)-1-methoxypropan-2-yl]oxyquinoline
CID 141434593
N-ethyl-2-quinolin-7-yloxyethanamine
CID 107313475
2-[(2,3-difluorophenoxy)methyl]butane-1-sulfonamide
CID 64998716
N'-hydroxy-2-quinolin-7-yloxybutanimidamide
CID 107313792
ethyl 2-(quinolin-7-yloxymethyl)prop-2-enoate
CID 107313075
1-quinolin-6-yloxypropan-2-amine
CID 86262441

Frequently Asked Questions

What is the IUPAC name of 2-(quinolin-7-yloxymethyl)butane-1-sulfonamide?
The IUPAC name of 2-(quinolin-7-yloxymethyl)butane-1-sulfonamide (CID 107315542) is 2-(quinolin-7-yloxymethyl)butane-1-sulfonamide.
What is the SMILES notation for 2-(quinolin-7-yloxymethyl)butane-1-sulfonamide?
The canonical SMILES for 2-(quinolin-7-yloxymethyl)butane-1-sulfonamide is CCC(COc1ccc2cccnc2c1)CS(N)(=O)=O.
What is the InChIKey of 2-(quinolin-7-yloxymethyl)butane-1-sulfonamide?
The InChIKey is BWPAIHPSJPJJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-2-11(10-20(15,17)18)9-19-13-6-5-12-4-3-7-16-14(12)8-13/h3-8,11H,2,9-10H2,1H3,(H2,15,17,18).
What are the key properties of 2-(quinolin-7-yloxymethyl)butane-1-sulfonamide?
2-(quinolin-7-yloxymethyl)butane-1-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(quinolin-7-yloxymethyl)butane-1-sulfonamide is sourced from PubChem (CID 107315542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).