N-(5-bromoquinolin-8-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C14H12BrN3O3S — CID 35527339

IUPACN-(5-bromoquinolin-8-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc(Br)c2cccnc12
InChIInChI=1S/C14H12BrN3O3S/c1-8-14(9(2)21-17-8)22(19,20)18-12-6-5-11(15)10-4-3-7-16-13(10)12/h3-7,18H,1-2H3
InChIKeyZIWCBJIVPLNKMI-UHFFFAOYSA-N
MW382.24 g/mol
LogP3.40
Rot. Bonds3

About N-(5-bromoquinolin-8-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-(5-bromoquinolin-8-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 35527339) has the molecular formula C14H12BrN3O3S and a molecular weight of 382.24 g/mol. Its IUPAC name is N-(5-bromoquinolin-8-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-bromoquinolin-8-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID35527339
Molecular FormulaC14H12BrN3O3S
Molecular Weight382.24 g/mol
Exact Mass380.98
IUPAC NameN-(5-bromoquinolin-8-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc(Br)c2cccnc12
InChIInChI=1S/C14H12BrN3O3S/c1-8-14(9(2)21-17-8)22(19,20)18-12-6-5-11(15)10-4-3-7-16-13(10)12/h3-7,18H,1-2H3
InChIKeyZIWCBJIVPLNKMI-UHFFFAOYSA-N
XLogP3.40
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.24
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromoquinolin-8-yl)-4-methylbenzenesulfonamide
CID 1380885
N-(2-bromo-5-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 103752882
N-(3-hydroxy-2-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113392334
N-[2-(hydroxymethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 60640605
N-(3-iodo-2-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113368492
N-(2-amino-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 43259158
3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide
CID 6621829
N-(2-chloro-4-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 8002095
N-(2-fluoro-4-iodophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 5000852
N-(5-amino-2,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 43550970
N-(2-amino-4-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 28783259
3-amino-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzoic acid
CID 63117138

Frequently Asked Questions

What is the IUPAC name of N-(5-bromoquinolin-8-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(5-bromoquinolin-8-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 35527339) is N-(5-bromoquinolin-8-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(5-bromoquinolin-8-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(5-bromoquinolin-8-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1ccc(Br)c2cccnc12.
What is the InChIKey of N-(5-bromoquinolin-8-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is ZIWCBJIVPLNKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O3S/c1-8-14(9(2)21-17-8)22(19,20)18-12-6-5-11(15)10-4-3-7-16-13(10)12/h3-7,18H,1-2H3.
What are the key properties of N-(5-bromoquinolin-8-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-(5-bromoquinolin-8-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 382.24 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromoquinolin-8-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 35527339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).