N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]methanesulfonamide

C22H17BrN2O2S — CID 1264811

IUPACN-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1
InChIInChI=1S/C22H17BrN2O2S/c1-28(26,27)25-18-10-7-16(8-11-18)22-14-19(15-5-3-2-4-6-15)20-13-17(23)9-12-21(20)24-22/h2-14,25H,1H3
InChIKeyZYYZDMVREPHZMQ-UHFFFAOYSA-N
MW453.36 g/mol
LogP5.70
Rot. Bonds4

About N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]methanesulfonamide

N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]methanesulfonamide (PubChem CID 1264811) has the molecular formula C22H17BrN2O2S and a molecular weight of 453.36 g/mol. Its IUPAC name is N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]methanesulfonamide
PubChem CID1264811
Molecular FormulaC22H17BrN2O2S
Molecular Weight453.36 g/mol
Exact Mass452.02
IUPAC NameN-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1
InChIInChI=1S/C22H17BrN2O2S/c1-28(26,27)25-18-10-7-16(8-11-18)22-14-19(15-5-3-2-4-6-15)20-13-17(23)9-12-21(20)24-22/h2-14,25H,1H3
InChIKeyZYYZDMVREPHZMQ-UHFFFAOYSA-N
XLogP5.70
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.36
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 3110691
5-bromo-N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]furan-2-carboxamide
CID 3098585
2-[4-(6-bromo-4-phenylquinolin-2-yl)phenoxy]-N-(hexylideneamino)acetamide
CID 3701073
6-bromo-2-phenylquinoline-4-carboxylate
CID 6974957
6-bromo-2-[3-(6-bromo-4-phenylquinolin-2-yl)-4-hexoxyphenyl]-4-phenylquinoline
CID 101209991
N-[4-(6-chloroquinoxalin-2-yl)phenyl]methanesulfonamide
CID 159141337
N-[4-(2-methylphenyl)phenyl]methanesulfonamide
CID 59877138
6-ethyl-2,4-diphenylquinoline
CID 132522547
6-bromo-3-(6-chloro-4-phenylquinolin-2-yl)-N-(4-methoxyphenyl)-4-phenylquinolin-2-amine
CID 3590309
2,4-diphenyl-N,N-bis(4-phenylphenyl)quinolin-6-amine
CID 142713547
2-[4-(6-bromo-4-phenylquinolin-2-yl)phenoxy]-N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]acetamide
CID 6248355
N-(4-bromophenyl)-2-phenylquinolin-4-amine;hydrochloride
CID 139593880

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]methanesulfonamide (CID 1264811) is N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1.
What is the InChIKey of N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]methanesulfonamide?
The InChIKey is ZYYZDMVREPHZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN2O2S/c1-28(26,27)25-18-10-7-16(8-11-18)22-14-19(15-5-3-2-4-6-15)20-13-17(23)9-12-21(20)24-22/h2-14,25H,1H3.
What are the key properties of N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]methanesulfonamide?
N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]methanesulfonamide has a molecular weight of 453.36 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 1264811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).