4-[(2-chloroquinolin-6-yl)sulfonylamino]butanamide

C13H14ClN3O3S — CID 60864854

IUPAC4-[(2-chloroquinolin-6-yl)sulfonylamino]butanamide
SMILESNC(=O)CCCNS(=O)(=O)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C13H14ClN3O3S/c14-12-6-3-9-8-10(4-5-11(9)17-12)21(19,20)16-7-1-2-13(15)18/h3-6,8,16H,1-2,7H2,(H2,15,18)
InChIKeyLSJAOCGISDNBRN-UHFFFAOYSA-N
MW327.79 g/mol
LogP1.43
Rot. Bonds6

About 4-[(2-chloroquinolin-6-yl)sulfonylamino]butanamide

4-[(2-chloroquinolin-6-yl)sulfonylamino]butanamide (PubChem CID 60864854) has the molecular formula C13H14ClN3O3S and a molecular weight of 327.79 g/mol. Its IUPAC name is 4-[(2-chloroquinolin-6-yl)sulfonylamino]butanamide.

Molecular Properties

Compound Name4-[(2-chloroquinolin-6-yl)sulfonylamino]butanamide
PubChem CID60864854
Molecular FormulaC13H14ClN3O3S
Molecular Weight327.79 g/mol
Exact Mass327.04
IUPAC Name4-[(2-chloroquinolin-6-yl)sulfonylamino]butanamide
SMILESNC(=O)CCCNS(=O)(=O)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C13H14ClN3O3S/c14-12-6-3-9-8-10(4-5-11(9)17-12)21(19,20)16-7-1-2-13(15)18/h3-6,8,16H,1-2,7H2,(H2,15,18)
InChIKeyLSJAOCGISDNBRN-UHFFFAOYSA-N
XLogP1.43
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[(2-chloroquinolin-6-yl)sulfonylamino]propanoate
CID 61053588
2-chloro-N-(2-sulfamoylethyl)quinoline-6-sulfonamide
CID 43552240
2-amino-N-butylquinoline-6-sulfonamide
CID 62148529
2-chloro-N-(2,3-dimethylbutyl)quinoline-6-sulfonamide
CID 64570321
4-[(5,6-dichloro-3-pyridinyl)sulfonylamino]butanamide
CID 64608732
2-amino-N-(4-methoxybutyl)quinoline-6-sulfonamide
CID 62157318
2-amino-N-(3-methylbutyl)quinoline-6-sulfonamide
CID 62149054
2-chloro-N-(1-hydroxybutan-2-yl)quinoline-6-sulfonamide
CID 61052466
5-[(4-hydroxyphenyl)sulfonylamino]pentanamide
CID 114162417
2-[(6-chloronaphthalen-2-yl)sulfonylamino]acetamide
CID 70140824
N-(2-amino-4-chlorophenyl)-2-chloroquinoline-6-sulfonamide
CID 118579987
2-chloro-N-(2-methylpropoxy)quinoline-6-sulfonamide
CID 107856698

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloroquinolin-6-yl)sulfonylamino]butanamide?
The IUPAC name of 4-[(2-chloroquinolin-6-yl)sulfonylamino]butanamide (CID 60864854) is 4-[(2-chloroquinolin-6-yl)sulfonylamino]butanamide.
What is the SMILES notation for 4-[(2-chloroquinolin-6-yl)sulfonylamino]butanamide?
The canonical SMILES for 4-[(2-chloroquinolin-6-yl)sulfonylamino]butanamide is NC(=O)CCCNS(=O)(=O)c1ccc2nc(Cl)ccc2c1.
What is the InChIKey of 4-[(2-chloroquinolin-6-yl)sulfonylamino]butanamide?
The InChIKey is LSJAOCGISDNBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3S/c14-12-6-3-9-8-10(4-5-11(9)17-12)21(19,20)16-7-1-2-13(15)18/h3-6,8,16H,1-2,7H2,(H2,15,18).
What are the key properties of 4-[(2-chloroquinolin-6-yl)sulfonylamino]butanamide?
4-[(2-chloroquinolin-6-yl)sulfonylamino]butanamide has a molecular weight of 327.79 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloroquinolin-6-yl)sulfonylamino]butanamide is sourced from PubChem (CID 60864854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).