3-aminobenzenesulfonamide;isoquinoline

C15H15N3O2S — CID 161089636

IUPAC3-aminobenzenesulfonamide;isoquinoline
SMILESNc1cccc(S(N)(=O)=O)c1.c1ccc2cnccc2c1
InChIInChI=1S/C9H7N.C6H8N2O2S/c1-2-4-9-7-10-6-5-8(9)3-1;7-5-2-1-3-6(4-5)11(8,9)10/h1-7H;1-4H,7H2,(H2,8,9,10)
InChIKeyUGZQLUAEJAXCAZ-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.15
Rot. Bonds1

About 3-aminobenzenesulfonamide;isoquinoline

3-aminobenzenesulfonamide;isoquinoline (PubChem CID 161089636) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 3-aminobenzenesulfonamide;isoquinoline.

Molecular Properties

Compound Name3-aminobenzenesulfonamide;isoquinoline
PubChem CID161089636
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name3-aminobenzenesulfonamide;isoquinoline
SMILESNc1cccc(S(N)(=O)=O)c1.c1ccc2cnccc2c1
InChIInChI=1S/C9H7N.C6H8N2O2S/c1-2-4-9-7-10-6-5-8(9)3-1;7-5-2-1-3-6(4-5)11(8,9)10/h1-7H;1-4H,7H2,(H2,8,9,10)
InChIKeyUGZQLUAEJAXCAZ-UHFFFAOYSA-N
XLogP2.15
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-isoquinolin-6-ylbenzenesulfonamide
CID 122455242
hydroxylamine;isoquinoline
CID 158472415
pyridine-3-sulfonamide;hydrochloride
CID 67156649
CID 118692694
CID 118692694
3-amino-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 55201115
dichloroiron;isoquinoline
CID 157065360
isoquinoline-5-sulfonamide;trihydrochloride
CID 140968257
benzene-1,3-disulfonamide
CID 3090044
isoquinoline;1,3,5-triazine
CID 175198893
ethane;isoquinoline;hydroiodide
CID 153349858
fluoromethanesulfonic acid;isoquinoline
CID 161311899
6-(aminosulfonimidoyl)isoquinoline
CID 146570705

Frequently Asked Questions

What is the IUPAC name of 3-aminobenzenesulfonamide;isoquinoline?
The IUPAC name of 3-aminobenzenesulfonamide;isoquinoline (CID 161089636) is 3-aminobenzenesulfonamide;isoquinoline.
What is the SMILES notation for 3-aminobenzenesulfonamide;isoquinoline?
The canonical SMILES for 3-aminobenzenesulfonamide;isoquinoline is Nc1cccc(S(N)(=O)=O)c1.c1ccc2cnccc2c1.
What is the InChIKey of 3-aminobenzenesulfonamide;isoquinoline?
The InChIKey is UGZQLUAEJAXCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C6H8N2O2S/c1-2-4-9-7-10-6-5-8(9)3-1;7-5-2-1-3-6(4-5)11(8,9)10/h1-7H;1-4H,7H2,(H2,8,9,10).
What are the key properties of 3-aminobenzenesulfonamide;isoquinoline?
3-aminobenzenesulfonamide;isoquinoline has a molecular weight of 301.37 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminobenzenesulfonamide;isoquinoline is sourced from PubChem (CID 161089636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).