N-(3-bromoquinolin-8-yl)-1-cyanomethanesulfonamide

C11H8BrN3O2S — CID 116784565

IUPACN-(3-bromoquinolin-8-yl)-1-cyanomethanesulfonamide
SMILESN#CCS(=O)(=O)Nc1cccc2cc(Br)cnc12
InChIInChI=1S/C11H8BrN3O2S/c12-9-6-8-2-1-3-10(11(8)14-7-9)15-18(16,17)5-4-13/h1-3,6-7,15H,5H2
InChIKeyUHVFGEGZTVFYBU-UHFFFAOYSA-N
MW326.18 g/mol
LogP2.26
Rot. Bonds3

About N-(3-bromoquinolin-8-yl)-1-cyanomethanesulfonamide

N-(3-bromoquinolin-8-yl)-1-cyanomethanesulfonamide (PubChem CID 116784565) has the molecular formula C11H8BrN3O2S and a molecular weight of 326.18 g/mol. Its IUPAC name is N-(3-bromoquinolin-8-yl)-1-cyanomethanesulfonamide.

Molecular Properties

Compound NameN-(3-bromoquinolin-8-yl)-1-cyanomethanesulfonamide
PubChem CID116784565
Molecular FormulaC11H8BrN3O2S
Molecular Weight326.18 g/mol
Exact Mass324.95
IUPAC NameN-(3-bromoquinolin-8-yl)-1-cyanomethanesulfonamide
SMILESN#CCS(=O)(=O)Nc1cccc2cc(Br)cnc12
InChIInChI=1S/C11H8BrN3O2S/c12-9-6-8-2-1-3-10(11(8)14-7-9)15-18(16,17)5-4-13/h1-3,6-7,15H,5H2
InChIKeyUHVFGEGZTVFYBU-UHFFFAOYSA-N
XLogP2.26
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromoquinolin-8-yl)-1-cyanopropane-1-sulfonamide
CID 116784566
N-(3-bromoquinolin-8-yl)-2-methoxyethanesulfonamide
CID 116784850
N-(3-bromoquinolin-8-yl)-2-propan-2-yloxyethanesulfonamide
CID 116784833
3-bromo-N-(propylsulfamoyl)quinolin-8-amine
CID 114808997
N-(3-bromoquinolin-8-yl)cyclopentanesulfonamide
CID 105361206
2-[(3-bromoquinolin-8-yl)sulfamoyl]butanethioamide
CID 116784591
4-[[(3-bromoquinolin-8-yl)amino]methyl]benzonitrile
CID 116783275
methyl 2-[(3-bromoquinolin-8-yl)sulfamoyl]propanoate
CID 116784844
3-bromo-N-pentan-3-ylquinolin-8-amine
CID 116783436
3-bromo-N-phenylquinolin-8-amine
CID 86754991
N-(3-bromoquinolin-8-yl)-2-cyano-3-methylbutanamide
CID 116784504
5-[[(3-bromoquinolin-8-yl)amino]methyl]thiophene-2-carbonitrile
CID 116783421

Frequently Asked Questions

What is the IUPAC name of N-(3-bromoquinolin-8-yl)-1-cyanomethanesulfonamide?
The IUPAC name of N-(3-bromoquinolin-8-yl)-1-cyanomethanesulfonamide (CID 116784565) is N-(3-bromoquinolin-8-yl)-1-cyanomethanesulfonamide.
What is the SMILES notation for N-(3-bromoquinolin-8-yl)-1-cyanomethanesulfonamide?
The canonical SMILES for N-(3-bromoquinolin-8-yl)-1-cyanomethanesulfonamide is N#CCS(=O)(=O)Nc1cccc2cc(Br)cnc12.
What is the InChIKey of N-(3-bromoquinolin-8-yl)-1-cyanomethanesulfonamide?
The InChIKey is UHVFGEGZTVFYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O2S/c12-9-6-8-2-1-3-10(11(8)14-7-9)15-18(16,17)5-4-13/h1-3,6-7,15H,5H2.
What are the key properties of N-(3-bromoquinolin-8-yl)-1-cyanomethanesulfonamide?
N-(3-bromoquinolin-8-yl)-1-cyanomethanesulfonamide has a molecular weight of 326.18 g/mol, XLogP of 2.26, 3 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-cyanomethanesulfonamide is sourced from PubChem (CID 116784565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).