2-amino-N-butylquinoline-6-sulfonamide

C13H17N3O2S — CID 62148529

IUPAC2-amino-N-butylquinoline-6-sulfonamide
SMILESCCCCNS(=O)(=O)c1ccc2nc(N)ccc2c1
InChIInChI=1S/C13H17N3O2S/c1-2-3-8-15-19(17,18)11-5-6-12-10(9-11)4-7-13(14)16-12/h4-7,9,15H,2-3,8H2,1H3,(H2,14,16)
InChIKeyQEEWNAUBXOMBRD-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.90
Rot. Bonds5

About 2-amino-N-butylquinoline-6-sulfonamide

2-amino-N-butylquinoline-6-sulfonamide (PubChem CID 62148529) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 2-amino-N-butylquinoline-6-sulfonamide.

Molecular Properties

Compound Name2-amino-N-butylquinoline-6-sulfonamide
PubChem CID62148529
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name2-amino-N-butylquinoline-6-sulfonamide
SMILESCCCCNS(=O)(=O)c1ccc2nc(N)ccc2c1
InChIInChI=1S/C13H17N3O2S/c1-2-3-8-15-19(17,18)11-5-6-12-10(9-11)4-7-13(14)16-12/h4-7,9,15H,2-3,8H2,1H3,(H2,14,16)
InChIKeyQEEWNAUBXOMBRD-UHFFFAOYSA-N
XLogP1.90
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(4-methoxybutyl)quinoline-6-sulfonamide
CID 62157318
2-amino-N-(3-methylbutyl)quinoline-6-sulfonamide
CID 62149054
2-amino-N-(2-methoxypropyl)quinoline-6-sulfonamide
CID 102700466
2-chloro-N-(2-sulfamoylethyl)quinoline-6-sulfonamide
CID 43552240
4-[(2-chloroquinolin-6-yl)sulfonylamino]butanamide
CID 60864854
2-amino-N-(thiophen-2-ylmethyl)quinoline-6-sulfonamide
CID 62143229
N-nonylnaphthalene-2-sulfonamide
CID 19681387
2-amino-N-(1,3-thiazol-4-ylmethyl)quinoline-6-sulfonamide
CID 63823461
N-butyl-1,3-benzoxazole-6-sulfonamide
CID 110759607
N-butyl-2-methylsulfonyl-3H-benzimidazole-5-sulfonamide
CID 123698941
N-dodecyl-6-hydroxynaphthalene-2-sulfonamide
CID 71346351
2-amino-N-(thiolan-3-ylmethyl)quinoline-6-sulfonamide
CID 107298100

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butylquinoline-6-sulfonamide?
The IUPAC name of 2-amino-N-butylquinoline-6-sulfonamide (CID 62148529) is 2-amino-N-butylquinoline-6-sulfonamide.
What is the SMILES notation for 2-amino-N-butylquinoline-6-sulfonamide?
The canonical SMILES for 2-amino-N-butylquinoline-6-sulfonamide is CCCCNS(=O)(=O)c1ccc2nc(N)ccc2c1.
What is the InChIKey of 2-amino-N-butylquinoline-6-sulfonamide?
The InChIKey is QEEWNAUBXOMBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-2-3-8-15-19(17,18)11-5-6-12-10(9-11)4-7-13(14)16-12/h4-7,9,15H,2-3,8H2,1H3,(H2,14,16).
What are the key properties of 2-amino-N-butylquinoline-6-sulfonamide?
2-amino-N-butylquinoline-6-sulfonamide has a molecular weight of 279.37 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butylquinoline-6-sulfonamide is sourced from PubChem (CID 62148529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).