N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]butane-1-sulfonamide

C15H22N2O3S — CID 110788676

IUPACN-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C15H22N2O3S/c1-2-3-10-21(19,20)16-9-8-12-4-6-14-13(11-12)5-7-15(18)17-14/h4,6,11,16H,2-3,5,7-10H2,1H3,(H,17,18)
InChIKeyUHJPHVGWSAWZSH-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.83
Rot. Bonds7

About N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]butane-1-sulfonamide

N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]butane-1-sulfonamide (PubChem CID 110788676) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]butane-1-sulfonamide
PubChem CID110788676
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C15H22N2O3S/c1-2-3-10-21(19,20)16-9-8-12-4-6-14-13(11-12)5-7-15(18)17-14/h4,6,11,16H,2-3,5,7-10H2,1H3,(H,17,18)
InChIKeyUHJPHVGWSAWZSH-UHFFFAOYSA-N
XLogP1.83
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propane-1-sulfonamide
CID 110788490
6-[2-(methylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 82282846
2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethanesulfonyl chloride
CID 82488863
N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]thiophene-2-sulfonamide
CID 110788681
6-[2-(3-chloropropylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 115215832
2-oxo-N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide
CID 115175903
6-[2-(4-hydroxybutylamino)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 115217775
6-(2-bromoethyl)-3,4-dihydro-1H-quinolin-2-one
CID 18382037
6-(2-sulfanylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82283516
3,8-di(nonyl)-6,11-dihydro-5H-benzo[b][1]benzazepine
CID 170778877
5-butyl-1,3-dihydroindol-2-one
CID 10219749
1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-propylurea
CID 110775002

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]butane-1-sulfonamide?
The IUPAC name of N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]butane-1-sulfonamide (CID 110788676) is N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]butane-1-sulfonamide.
What is the SMILES notation for N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]butane-1-sulfonamide?
The canonical SMILES for N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCCc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]butane-1-sulfonamide?
The InChIKey is UHJPHVGWSAWZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-2-3-10-21(19,20)16-9-8-12-4-6-14-13(11-12)5-7-15(18)17-14/h4,6,11,16H,2-3,5,7-10H2,1H3,(H,17,18).
What are the key properties of N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]butane-1-sulfonamide?
N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]butane-1-sulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]butane-1-sulfonamide is sourced from PubChem (CID 110788676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).