N-(3-bromoquinolin-8-yl)-1-cyanopropane-1-sulfonamide

C13H12BrN3O2S — CID 116784566

IUPACN-(3-bromoquinolin-8-yl)-1-cyanopropane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)Nc1cccc2cc(Br)cnc12
InChIInChI=1S/C13H12BrN3O2S/c1-2-11(7-15)20(18,19)17-12-5-3-4-9-6-10(14)8-16-13(9)12/h3-6,8,11,17H,2H2,1H3
InChIKeyJZCIEDLHDRFZJC-UHFFFAOYSA-N
MW354.23 g/mol
LogP3.04
Rot. Bonds4

About N-(3-bromoquinolin-8-yl)-1-cyanopropane-1-sulfonamide

N-(3-bromoquinolin-8-yl)-1-cyanopropane-1-sulfonamide (PubChem CID 116784566) has the molecular formula C13H12BrN3O2S and a molecular weight of 354.23 g/mol. Its IUPAC name is N-(3-bromoquinolin-8-yl)-1-cyanopropane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-bromoquinolin-8-yl)-1-cyanopropane-1-sulfonamide
PubChem CID116784566
Molecular FormulaC13H12BrN3O2S
Molecular Weight354.23 g/mol
Exact Mass352.98
IUPAC NameN-(3-bromoquinolin-8-yl)-1-cyanopropane-1-sulfonamide
SMILESCCC(C#N)S(=O)(=O)Nc1cccc2cc(Br)cnc12
InChIInChI=1S/C13H12BrN3O2S/c1-2-11(7-15)20(18,19)17-12-5-3-4-9-6-10(14)8-16-13(9)12/h3-6,8,11,17H,2H2,1H3
InChIKeyJZCIEDLHDRFZJC-UHFFFAOYSA-N
XLogP3.04
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromoquinolin-8-yl)sulfamoyl]butanethioamide
CID 116784591
N-(3-bromoquinolin-8-yl)-1-cyanomethanesulfonamide
CID 116784565
3-bromo-N-(propylsulfamoyl)quinolin-8-amine
CID 114808997
methyl 2-[(3-bromoquinolin-8-yl)sulfamoyl]propanoate
CID 116784844
3-bromo-N-pentan-3-ylquinolin-8-amine
CID 116783436
N-(3-bromoquinolin-8-yl)-2-methoxyethanesulfonamide
CID 116784850
N-(3-bromoquinolin-8-yl)-2-propan-2-yloxyethanesulfonamide
CID 116784833
N-(3-bromoquinolin-8-yl)-2-cyano-3-methylbutanamide
CID 116784504
N-(2-bromo-5-methylphenyl)-1-cyanopropane-1-sulfonamide
CID 82757404
N-(3-bromoquinolin-8-yl)cyclopentanesulfonamide
CID 105361206
3-bromo-N-but-3-yn-2-ylquinolin-8-amine
CID 116784222
3-bromo-N-[1-(furan-2-yl)propyl]quinolin-8-amine
CID 116783292

Frequently Asked Questions

What is the IUPAC name of N-(3-bromoquinolin-8-yl)-1-cyanopropane-1-sulfonamide?
The IUPAC name of N-(3-bromoquinolin-8-yl)-1-cyanopropane-1-sulfonamide (CID 116784566) is N-(3-bromoquinolin-8-yl)-1-cyanopropane-1-sulfonamide.
What is the SMILES notation for N-(3-bromoquinolin-8-yl)-1-cyanopropane-1-sulfonamide?
The canonical SMILES for N-(3-bromoquinolin-8-yl)-1-cyanopropane-1-sulfonamide is CCC(C#N)S(=O)(=O)Nc1cccc2cc(Br)cnc12.
What is the InChIKey of N-(3-bromoquinolin-8-yl)-1-cyanopropane-1-sulfonamide?
The InChIKey is JZCIEDLHDRFZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O2S/c1-2-11(7-15)20(18,19)17-12-5-3-4-9-6-10(14)8-16-13(9)12/h3-6,8,11,17H,2H2,1H3.
What are the key properties of N-(3-bromoquinolin-8-yl)-1-cyanopropane-1-sulfonamide?
N-(3-bromoquinolin-8-yl)-1-cyanopropane-1-sulfonamide has a molecular weight of 354.23 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromoquinolin-8-yl)-1-cyanopropane-1-sulfonamide is sourced from PubChem (CID 116784566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).