N-(3-chlorobutyl)quinoline-5-sulfonamide

C13H15ClN2O2S — CID 113451724

IUPACN-(3-chlorobutyl)quinoline-5-sulfonamide
SMILESCC(Cl)CCNS(=O)(=O)c1cccc2ncccc12
InChIInChI=1S/C13H15ClN2O2S/c1-10(14)7-9-16-19(17,18)13-6-2-5-12-11(13)4-3-8-15-12/h2-6,8,10,16H,7,9H2,1H3
InChIKeySROUDQOBVGUIBF-UHFFFAOYSA-N
MW298.79 g/mol
LogP2.53
Rot. Bonds5

About N-(3-chlorobutyl)quinoline-5-sulfonamide

N-(3-chlorobutyl)quinoline-5-sulfonamide (PubChem CID 113451724) has the molecular formula C13H15ClN2O2S and a molecular weight of 298.79 g/mol. Its IUPAC name is N-(3-chlorobutyl)quinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(3-chlorobutyl)quinoline-5-sulfonamide
PubChem CID113451724
Molecular FormulaC13H15ClN2O2S
Molecular Weight298.79 g/mol
Exact Mass298.05
IUPAC NameN-(3-chlorobutyl)quinoline-5-sulfonamide
SMILESCC(Cl)CCNS(=O)(=O)c1cccc2ncccc12
InChIInChI=1S/C13H15ClN2O2S/c1-10(14)7-9-16-19(17,18)13-6-2-5-12-11(13)4-3-8-15-12/h2-6,8,10,16H,7,9H2,1H3
InChIKeySROUDQOBVGUIBF-UHFFFAOYSA-N
XLogP2.53
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(propan-2-ylamino)propyl]quinoline-5-sulfonamide
CID 115752345
N-(3-chlorobutyl)naphthalene-1-sulfonamide
CID 114795632
N-(3-amino-4-methoxybutyl)quinoline-5-sulfonamide
CID 106243751
N-(1-chloropropan-2-yl)quinoline-5-sulfonamide
CID 104774167
N-(pyrimidin-2-ylmethyl)quinoline-5-sulfonamide
CID 166368628
N-(6-hydroxyhexyl)quinoline-5-sulfonamide
CID 103918476
N-(3-chlorobutyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 65033045
N-(2-ethyl-4-hydroxybutyl)quinoline-5-sulfonamide
CID 115701460
N-(1-hydroxy-4-methylpentan-3-yl)quinoline-5-sulfonamide
CID 103836279
4-(quinolin-5-ylsulfonylamino)butanethioamide
CID 104773649
N-(1,3-dihydroxypropan-2-yl)quinoline-5-sulfonamide
CID 115755300
N-(1H-pyrazol-4-ylmethyl)quinoline-5-sulfonamide
CID 104774020

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorobutyl)quinoline-5-sulfonamide?
The IUPAC name of N-(3-chlorobutyl)quinoline-5-sulfonamide (CID 113451724) is N-(3-chlorobutyl)quinoline-5-sulfonamide.
What is the SMILES notation for N-(3-chlorobutyl)quinoline-5-sulfonamide?
The canonical SMILES for N-(3-chlorobutyl)quinoline-5-sulfonamide is CC(Cl)CCNS(=O)(=O)c1cccc2ncccc12.
What is the InChIKey of N-(3-chlorobutyl)quinoline-5-sulfonamide?
The InChIKey is SROUDQOBVGUIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S/c1-10(14)7-9-16-19(17,18)13-6-2-5-12-11(13)4-3-8-15-12/h2-6,8,10,16H,7,9H2,1H3.
What are the key properties of N-(3-chlorobutyl)quinoline-5-sulfonamide?
N-(3-chlorobutyl)quinoline-5-sulfonamide has a molecular weight of 298.79 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorobutyl)quinoline-5-sulfonamide is sourced from PubChem (CID 113451724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).