N-(8-bromoisoquinolin-5-yl)-4-methylbenzenesulfonamide

C16H13BrN2O2S — CID 169372757

IUPACN-(8-bromoisoquinolin-5-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Br)c3cnccc23)cc1
InChIInChI=1S/C16H13BrN2O2S/c1-11-2-4-12(5-3-11)22(20,21)19-16-7-6-15(17)14-10-18-9-8-13(14)16/h2-10,19H,1H3
InChIKeyCWJURZSPXODTID-UHFFFAOYSA-N
MW377.26 g/mol
LogP4.11
Rot. Bonds3

About N-(8-bromoisoquinolin-5-yl)-4-methylbenzenesulfonamide

N-(8-bromoisoquinolin-5-yl)-4-methylbenzenesulfonamide (PubChem CID 169372757) has the molecular formula C16H13BrN2O2S and a molecular weight of 377.26 g/mol. Its IUPAC name is N-(8-bromoisoquinolin-5-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(8-bromoisoquinolin-5-yl)-4-methylbenzenesulfonamide
PubChem CID169372757
Molecular FormulaC16H13BrN2O2S
Molecular Weight377.26 g/mol
Exact Mass375.99
IUPAC NameN-(8-bromoisoquinolin-5-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Br)c3cnccc23)cc1
InChIInChI=1S/C16H13BrN2O2S/c1-11-2-4-12(5-3-11)22(20,21)19-16-7-6-15(17)14-10-18-9-8-13(14)16/h2-10,19H,1H3
InChIKeyCWJURZSPXODTID-UHFFFAOYSA-N
XLogP4.11
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.26
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 66524316
N-(5-bromoquinolin-8-yl)-4-methylbenzenesulfonamide
CID 1380885
N-(8-bromoisoquinolin-5-yl)acetamide
CID 18435891
N-(2-bromo-4-iodophenyl)-4-methylbenzenesulfonamide
CID 114259559
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
N-(2-bromo-5-ethylsulfonylphenyl)-4-methylbenzenesulfonamide
CID 169370073
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide
CID 70789421
N-(4-bromo-1H-pyrazol-5-yl)-4-methylbenzenesulfonamide
CID 3852469
4-methyl-N-(5H-pyrido[4,3-b]indol-8-yl)benzenesulfonamide
CID 52946231
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
4-bromo-N-[4-[(4-bromophenyl)sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 5259114
N-(5-bromopyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 11001969

Frequently Asked Questions

What is the IUPAC name of N-(8-bromoisoquinolin-5-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(8-bromoisoquinolin-5-yl)-4-methylbenzenesulfonamide (CID 169372757) is N-(8-bromoisoquinolin-5-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(8-bromoisoquinolin-5-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(8-bromoisoquinolin-5-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Br)c3cnccc23)cc1.
What is the InChIKey of N-(8-bromoisoquinolin-5-yl)-4-methylbenzenesulfonamide?
The InChIKey is CWJURZSPXODTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2S/c1-11-2-4-12(5-3-11)22(20,21)19-16-7-6-15(17)14-10-18-9-8-13(14)16/h2-10,19H,1H3.
What are the key properties of N-(8-bromoisoquinolin-5-yl)-4-methylbenzenesulfonamide?
N-(8-bromoisoquinolin-5-yl)-4-methylbenzenesulfonamide has a molecular weight of 377.26 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-bromoisoquinolin-5-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 169372757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).