3-bromo-N-(propylsulfamoyl)quinolin-8-amine

C12H14BrN3O2S — CID 114808997

IUPAC3-bromo-N-(propylsulfamoyl)quinolin-8-amine
SMILESCCCNS(=O)(=O)Nc1cccc2cc(Br)cnc12
InChIInChI=1S/C12H14BrN3O2S/c1-2-6-15-19(17,18)16-11-5-3-4-9-7-10(13)8-14-12(9)11/h3-5,7-8,15-16H,2,6H2,1H3
InChIKeySAMAQXHRTFKNPT-UHFFFAOYSA-N
MW344.23 g/mol
LogP2.65
Rot. Bonds5

About 3-bromo-N-(propylsulfamoyl)quinolin-8-amine

3-bromo-N-(propylsulfamoyl)quinolin-8-amine (PubChem CID 114808997) has the molecular formula C12H14BrN3O2S and a molecular weight of 344.23 g/mol. Its IUPAC name is 3-bromo-N-(propylsulfamoyl)quinolin-8-amine.

Molecular Properties

Compound Name3-bromo-N-(propylsulfamoyl)quinolin-8-amine
PubChem CID114808997
Molecular FormulaC12H14BrN3O2S
Molecular Weight344.23 g/mol
Exact Mass343.00
IUPAC Name3-bromo-N-(propylsulfamoyl)quinolin-8-amine
SMILESCCCNS(=O)(=O)Nc1cccc2cc(Br)cnc12
InChIInChI=1S/C12H14BrN3O2S/c1-2-6-15-19(17,18)16-11-5-3-4-9-7-10(13)8-14-12(9)11/h3-5,7-8,15-16H,2,6H2,1H3
InChIKeySAMAQXHRTFKNPT-UHFFFAOYSA-N
XLogP2.65
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.23
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromoquinolin-8-yl)-1-cyanopropane-1-sulfonamide
CID 116784566
N-(3-bromoquinolin-8-yl)-1-cyanomethanesulfonamide
CID 116784565
N-(3-bromoquinolin-8-yl)-2-methoxyethanesulfonamide
CID 116784850
2-[(3-bromoquinolin-8-yl)sulfamoyl]butanethioamide
CID 116784591
3-bromo-N-pentan-3-ylquinolin-8-amine
CID 116783436
N-(3-bromoquinolin-8-yl)-2-propan-2-yloxyethanesulfonamide
CID 116784833
N-(3-bromoquinolin-8-yl)cyclopentanesulfonamide
CID 105361206
methyl 2-[(3-bromoquinolin-8-yl)sulfamoyl]propanoate
CID 116784844
3-bromo-N-(3-ethoxypropyl)quinolin-8-amine
CID 116784215
ethyl 2-[(3-bromoquinolin-8-yl)amino]pentanoate
CID 116784288
3-bromo-8-methylsulfonylquinoline
CID 118997326
2-N-(3-bromoquinolin-8-yl)-2-methylbutane-1,2-diamine
CID 116783708

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(propylsulfamoyl)quinolin-8-amine?
The IUPAC name of 3-bromo-N-(propylsulfamoyl)quinolin-8-amine (CID 114808997) is 3-bromo-N-(propylsulfamoyl)quinolin-8-amine.
What is the SMILES notation for 3-bromo-N-(propylsulfamoyl)quinolin-8-amine?
The canonical SMILES for 3-bromo-N-(propylsulfamoyl)quinolin-8-amine is CCCNS(=O)(=O)Nc1cccc2cc(Br)cnc12.
What is the InChIKey of 3-bromo-N-(propylsulfamoyl)quinolin-8-amine?
The InChIKey is SAMAQXHRTFKNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2S/c1-2-6-15-19(17,18)16-11-5-3-4-9-7-10(13)8-14-12(9)11/h3-5,7-8,15-16H,2,6H2,1H3.
What are the key properties of 3-bromo-N-(propylsulfamoyl)quinolin-8-amine?
3-bromo-N-(propylsulfamoyl)quinolin-8-amine has a molecular weight of 344.23 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(propylsulfamoyl)quinolin-8-amine is sourced from PubChem (CID 114808997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).