5-amino-N-(2H-tetrazol-5-ylmethyl)quinoline-8-sulfonamide

C11H11N7O2S — CID 104850425

IUPAC5-amino-N-(2H-tetrazol-5-ylmethyl)quinoline-8-sulfonamide
SMILESNc1ccc(S(=O)(=O)NCc2nn[nH]n2)c2ncccc12
InChIInChI=1S/C11H11N7O2S/c12-8-3-4-9(11-7(8)2-1-5-13-11)21(19,20)14-6-10-15-17-18-16-10/h1-5,14H,6,12H2,(H,15,16,17,18)
InChIKeyJBSULPLKZPSIIS-UHFFFAOYSA-N
MW305.32 g/mol
LogP-0.19
Rot. Bonds4

About 5-amino-N-(2H-tetrazol-5-ylmethyl)quinoline-8-sulfonamide

5-amino-N-(2H-tetrazol-5-ylmethyl)quinoline-8-sulfonamide (PubChem CID 104850425) has the molecular formula C11H11N7O2S and a molecular weight of 305.32 g/mol. Its IUPAC name is 5-amino-N-(2H-tetrazol-5-ylmethyl)quinoline-8-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(2H-tetrazol-5-ylmethyl)quinoline-8-sulfonamide
PubChem CID104850425
Molecular FormulaC11H11N7O2S
Molecular Weight305.32 g/mol
Exact Mass305.07
IUPAC Name5-amino-N-(2H-tetrazol-5-ylmethyl)quinoline-8-sulfonamide
SMILESNc1ccc(S(=O)(=O)NCc2nn[nH]n2)c2ncccc12
InChIInChI=1S/C11H11N7O2S/c12-8-3-4-9(11-7(8)2-1-5-13-11)21(19,20)14-6-10-15-17-18-16-10/h1-5,14H,6,12H2,(H,15,16,17,18)
InChIKeyJBSULPLKZPSIIS-UHFFFAOYSA-N
XLogP-0.19
TPSA139.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(1,2-oxazol-5-ylmethyl)quinoline-8-sulfonamide
CID 106413888
4-[(5-aminoquinolin-8-yl)sulfonylamino]butanamide
CID 104850380
5-amino-N-[2-(dimethylamino)ethyl]quinoline-8-sulfonamide
CID 104850286
5-amino-N-(cyclopentylmethyl)quinoline-8-sulfonamide
CID 104850349
N-[2-[(5-aminoquinolin-8-yl)sulfonylamino]ethyl]acetamide
CID 104850364
methyl 3-[(5-aminoquinolin-8-yl)sulfonylamino]propanoate
CID 104850376
4-amino-3-fluoro-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 82843953
3-(ethylamino)-N-(2H-tetrazol-5-ylmethyl)pyridine-2-sulfonamide
CID 103305294
3-amino-2-nitro-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 115993512
5-amino-N-(4-hydroxypentan-2-yl)quinoline-8-sulfonamide
CID 104850522
3-amino-2-bromo-5-chloro-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 62955847
4-amino-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 81438010

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2H-tetrazol-5-ylmethyl)quinoline-8-sulfonamide?
The IUPAC name of 5-amino-N-(2H-tetrazol-5-ylmethyl)quinoline-8-sulfonamide (CID 104850425) is 5-amino-N-(2H-tetrazol-5-ylmethyl)quinoline-8-sulfonamide.
What is the SMILES notation for 5-amino-N-(2H-tetrazol-5-ylmethyl)quinoline-8-sulfonamide?
The canonical SMILES for 5-amino-N-(2H-tetrazol-5-ylmethyl)quinoline-8-sulfonamide is Nc1ccc(S(=O)(=O)NCc2nn[nH]n2)c2ncccc12.
What is the InChIKey of 5-amino-N-(2H-tetrazol-5-ylmethyl)quinoline-8-sulfonamide?
The InChIKey is JBSULPLKZPSIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7O2S/c12-8-3-4-9(11-7(8)2-1-5-13-11)21(19,20)14-6-10-15-17-18-16-10/h1-5,14H,6,12H2,(H,15,16,17,18).
What are the key properties of 5-amino-N-(2H-tetrazol-5-ylmethyl)quinoline-8-sulfonamide?
5-amino-N-(2H-tetrazol-5-ylmethyl)quinoline-8-sulfonamide has a molecular weight of 305.32 g/mol, XLogP of -0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2H-tetrazol-5-ylmethyl)quinoline-8-sulfonamide is sourced from PubChem (CID 104850425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).