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

C16H13BrN2O2S — CID 1380885

IUPACN-(5-bromoquinolin-8-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Br)c3cccnc23)cc1
InChIInChI=1S/C16H13BrN2O2S/c1-11-4-6-12(7-5-11)22(20,21)19-15-9-8-14(17)13-3-2-10-18-16(13)15/h2-10,19H,1H3
InChIKeyYRTJECXIDOZGAQ-UHFFFAOYSA-N
MW377.26 g/mol
LogP4.11
Rot. Bonds3

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

N-(5-bromoquinolin-8-yl)-4-methylbenzenesulfonamide (PubChem CID 1380885) has the molecular formula C16H13BrN2O2S and a molecular weight of 377.26 g/mol. Its IUPAC name is N-(5-bromoquinolin-8-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromoquinolin-8-yl)-4-methylbenzenesulfonamide
PubChem CID1380885
Molecular FormulaC16H13BrN2O2S
Molecular Weight377.26 g/mol
Exact Mass375.99
IUPAC NameN-(5-bromoquinolin-8-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Br)c3cccnc23)cc1
InChIInChI=1S/C16H13BrN2O2S/c1-11-4-6-12(7-5-11)22(20,21)19-15-9-8-14(17)13-3-2-10-18-16(13)15/h2-10,19H,1H3
InChIKeyYRTJECXIDOZGAQ-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

N-(6-amino-1,10-phenanthrolin-5-yl)-4-methylbenzenesulfonamide
CID 102264141
N-(5-bromoquinolin-8-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 35527339
N-(8-bromoisoquinolin-5-yl)-4-methylbenzenesulfonamide
CID 169372757
N-[5-(4-hydroxy-4-phenylpiperidin-1-yl)quinolin-8-yl]-4-methylbenzenesulfonamide
CID 169225092
3-[(4-methylphenyl)sulfonylamino]pyridine-2-carboxylic acid
CID 115778031
6,8-dihydroxy-N-(5-hydroxyquinolin-8-yl)-5-methylnaphthalene-2-sulfonamide
CID 135733675
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
N-(2-bromo-4-methylphenyl)quinoline-8-sulfonamide
CID 4197183
4-methyl-N-[4-methyl-2-(2-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide
CID 59788740
N-(2-bromo-4-iodophenyl)-4-methylbenzenesulfonamide
CID 114259559
N-(8-aminoquinolin-5-yl)benzenesulfonamide
CID 104826550
N-(1-isoquinolin-1-ylnaphthalen-2-yl)-4-methylbenzenesulfonamide
CID 72724173

Frequently Asked Questions

What is the IUPAC name of N-(5-bromoquinolin-8-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(5-bromoquinolin-8-yl)-4-methylbenzenesulfonamide (CID 1380885) is N-(5-bromoquinolin-8-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-bromoquinolin-8-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(5-bromoquinolin-8-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Br)c3cccnc23)cc1.
What is the InChIKey of N-(5-bromoquinolin-8-yl)-4-methylbenzenesulfonamide?
The InChIKey is YRTJECXIDOZGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2S/c1-11-4-6-12(7-5-11)22(20,21)19-15-9-8-14(17)13-3-2-10-18-16(13)15/h2-10,19H,1H3.
What are the key properties of N-(5-bromoquinolin-8-yl)-4-methylbenzenesulfonamide?
N-(5-bromoquinolin-8-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-(5-bromoquinolin-8-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 1380885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).