8-methoxy-N-prop-2-enylquinoline-5-sulfonamide

C13H14N2O3S — CID 624168

IUPAC8-methoxy-N-prop-2-enylquinoline-5-sulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(OC)c2ncccc12
InChIInChI=1S/C13H14N2O3S/c1-3-8-15-19(16,17)12-7-6-11(18-2)13-10(12)5-4-9-14-13/h3-7,9,15H,1,8H2,2H3
InChIKeySJQDJRKXOCOMHP-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.71
Rot. Bonds5

About 8-methoxy-N-prop-2-enylquinoline-5-sulfonamide

8-methoxy-N-prop-2-enylquinoline-5-sulfonamide (PubChem CID 624168) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 8-methoxy-N-prop-2-enylquinoline-5-sulfonamide.

Molecular Properties

Compound Name8-methoxy-N-prop-2-enylquinoline-5-sulfonamide
PubChem CID624168
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name8-methoxy-N-prop-2-enylquinoline-5-sulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(OC)c2ncccc12
InChIInChI=1S/C13H14N2O3S/c1-3-8-15-19(16,17)12-7-6-11(18-2)13-10(12)5-4-9-14-13/h3-7,9,15H,1,8H2,2H3
InChIKeySJQDJRKXOCOMHP-UHFFFAOYSA-N
XLogP1.71
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-heptyl-8-methoxyquinoline-5-sulfonamide
CID 594128
8-methoxy-N,N-bis(prop-2-enyl)quinoline-5-sulfonamide
CID 671601
8-methoxyquinoline-5-sulfonyl fluoride
CID 165461293
8-methoxy-N-(4-methoxyphenyl)quinoline-5-sulfonamide
CID 729403
N-[(3,4-dimethoxyphenyl)methyl]-8-methylquinoline-5-sulfonamide
CID 134034376
8-ethoxy-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]quinoline-5-sulfonamide
CID 3869525
8-methoxy-N-(2-morpholin-4-yl-2-phenylethyl)quinoline-5-sulfonamide
CID 47062207
5-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 27245863
5-methoxy-2,4-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 27261539
8-ethoxy-N-[2-(2-ethoxyphenyl)ethyl]quinoline-5-sulfonamide
CID 3684734
8-methyl-N-[3-[(8-methylquinolin-5-yl)sulfonylamino]propyl]quinoline-5-sulfonamide
CID 55559982
N-[4-(azepan-1-ylsulfonyl)phenyl]-8-methoxyquinoline-5-sulfonamide
CID 167755588

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-prop-2-enylquinoline-5-sulfonamide?
The IUPAC name of 8-methoxy-N-prop-2-enylquinoline-5-sulfonamide (CID 624168) is 8-methoxy-N-prop-2-enylquinoline-5-sulfonamide.
What is the SMILES notation for 8-methoxy-N-prop-2-enylquinoline-5-sulfonamide?
The canonical SMILES for 8-methoxy-N-prop-2-enylquinoline-5-sulfonamide is C=CCNS(=O)(=O)c1ccc(OC)c2ncccc12.
What is the InChIKey of 8-methoxy-N-prop-2-enylquinoline-5-sulfonamide?
The InChIKey is SJQDJRKXOCOMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-3-8-15-19(16,17)12-7-6-11(18-2)13-10(12)5-4-9-14-13/h3-7,9,15H,1,8H2,2H3.
What are the key properties of 8-methoxy-N-prop-2-enylquinoline-5-sulfonamide?
8-methoxy-N-prop-2-enylquinoline-5-sulfonamide has a molecular weight of 278.33 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-prop-2-enylquinoline-5-sulfonamide is sourced from PubChem (CID 624168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).