N-quinolin-2-ylpentane-1-sulfonamide

C14H18N2O2S — CID 174846518

IUPACN-quinolin-2-ylpentane-1-sulfonamide
SMILESCCCCCS(=O)(=O)Nc1ccc2ccccc2n1
InChIInChI=1S/C14H18N2O2S/c1-2-3-6-11-19(17,18)16-14-10-9-12-7-4-5-8-13(12)15-14/h4-5,7-10H,2-3,6,11H2,1H3,(H,15,16)
InChIKeyBOSFXOUZYWRHJG-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.17
Rot. Bonds6

About N-quinolin-2-ylpentane-1-sulfonamide

N-quinolin-2-ylpentane-1-sulfonamide (PubChem CID 174846518) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-quinolin-2-ylpentane-1-sulfonamide.

Molecular Properties

Compound NameN-quinolin-2-ylpentane-1-sulfonamide
PubChem CID174846518
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-quinolin-2-ylpentane-1-sulfonamide
SMILESCCCCCS(=O)(=O)Nc1ccc2ccccc2n1
InChIInChI=1S/C14H18N2O2S/c1-2-3-6-11-19(17,18)16-14-10-9-12-7-4-5-8-13(12)15-14/h4-5,7-10H,2-3,6,11H2,1H3,(H,15,16)
InChIKeyBOSFXOUZYWRHJG-UHFFFAOYSA-N
XLogP3.17
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-pentylsulfonylquinoline
CID 174165146
N-dodecylquinolin-2-amine
CID 160510159
quinolin-2-ylsulfamic acid
CID 141346931
N-(6-bromo-2-pyridinyl)butane-1-sulfonamide
CID 43520639
N-(6-fluoro-2-pyridinyl)butane-1-sulfonamide
CID 104821637
N-(2-hydroxyphenyl)dodecane-1-sulfonamide
CID 3509562
(Z)-N-quinolin-2-yloctadec-9-enamide
CID 145189390
N-(2-chloropyrimidin-4-yl)butane-1-sulfonamide
CID 116798844
N-[6-(butylamino)pyridazin-3-yl]butane-1-sulfonamide
CID 113038387
N-(2,6-dihydroxyphenyl)hexadecane-1-sulfonamide
CID 22758999
4-amino-N-(6-methyl-2-pyridinyl)butane-1-sulfonamide
CID 61456032
acridine;heptane
CID 158562494

Frequently Asked Questions

What is the IUPAC name of N-quinolin-2-ylpentane-1-sulfonamide?
The IUPAC name of N-quinolin-2-ylpentane-1-sulfonamide (CID 174846518) is N-quinolin-2-ylpentane-1-sulfonamide.
What is the SMILES notation for N-quinolin-2-ylpentane-1-sulfonamide?
The canonical SMILES for N-quinolin-2-ylpentane-1-sulfonamide is CCCCCS(=O)(=O)Nc1ccc2ccccc2n1.
What is the InChIKey of N-quinolin-2-ylpentane-1-sulfonamide?
The InChIKey is BOSFXOUZYWRHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-2-3-6-11-19(17,18)16-14-10-9-12-7-4-5-8-13(12)15-14/h4-5,7-10H,2-3,6,11H2,1H3,(H,15,16).
What are the key properties of N-quinolin-2-ylpentane-1-sulfonamide?
N-quinolin-2-ylpentane-1-sulfonamide has a molecular weight of 278.38 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-2-ylpentane-1-sulfonamide is sourced from PubChem (CID 174846518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).