N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]-3-phenylbenzenesulfonamide

C30H26N2O5S — CID 58229291

IUPACN-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]-3-phenylbenzenesulfonamide
SMILESCOc1cc2nccc(Oc3ccc(NS(=O)(=O)c4cccc(-c5ccccc5)c4)cc3C)c2cc1OC
InChIInChI=1S/C30H26N2O5S/c1-20-16-23(32-38(33,34)24-11-7-10-22(17-24)21-8-5-4-6-9-21)12-13-27(20)37-28-14-15-31-26-19-30(36-3)29(35-2)18-25(26)28/h4-19,32H,1-3H3
InChIKeyAXUHCPXVPHUXNZ-UHFFFAOYSA-N
MW526.61 g/mol
LogP6.82
Rot. Bonds8

About N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]-3-phenylbenzenesulfonamide

N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]-3-phenylbenzenesulfonamide (PubChem CID 58229291) has the molecular formula C30H26N2O5S and a molecular weight of 526.61 g/mol. Its IUPAC name is N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]-3-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]-3-phenylbenzenesulfonamide
PubChem CID58229291
Molecular FormulaC30H26N2O5S
Molecular Weight526.61 g/mol
Exact Mass526.16
IUPAC NameN-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]-3-phenylbenzenesulfonamide
SMILESCOc1cc2nccc(Oc3ccc(NS(=O)(=O)c4cccc(-c5ccccc5)c4)cc3C)c2cc1OC
InChIInChI=1S/C30H26N2O5S/c1-20-16-23(32-38(33,34)24-11-7-10-22(17-24)21-8-5-4-6-9-21)12-13-27(20)37-28-14-15-31-26-19-30(36-3)29(35-2)18-25(26)28/h4-19,32H,1-3H3
InChIKeyAXUHCPXVPHUXNZ-UHFFFAOYSA-N
XLogP6.82
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.61
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dichloro-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]-2-methoxybenzenesulfonamide;N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 160597280
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-phenylaniline
CID 23022656
N-[4-[7-(3-aminopropoxy)-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]naphthalene-1-sulfonamide;2-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyaniline;3-phenylbenzenesulfonic acid
CID 172708461
4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 11271621
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methoxyphenyl]formamide
CID 154934012
tert-butyl N-[3-[4-[2-fluoro-4-[(3-phenylphenyl)sulfonylamino]phenoxy]-6-methoxyquinolin-7-yl]oxypropyl]carbamate;1-[3-(2-cyano-7-fluoroquinolin-4-yl)phenyl]-3-(2,4-difluorophenyl)urea
CID 162163588
2-fluoro-N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]benzenesulfonamide
CID 52914085
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]-phenylmethanone
CID 23156626
4-[[3-(3,4-dimethoxyphenyl)phenyl]sulfonylamino]-2-hydroxybenzoic acid
CID 56596202
N,3-diphenylbenzenesulfonamide
CID 54513984
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-5-phenylthiophene-2-sulfonamide;N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 159317839

Frequently Asked Questions

What is the IUPAC name of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]-3-phenylbenzenesulfonamide?
The IUPAC name of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]-3-phenylbenzenesulfonamide (CID 58229291) is N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]-3-phenylbenzenesulfonamide.
What is the SMILES notation for N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]-3-phenylbenzenesulfonamide?
The canonical SMILES for N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]-3-phenylbenzenesulfonamide is COc1cc2nccc(Oc3ccc(NS(=O)(=O)c4cccc(-c5ccccc5)c4)cc3C)c2cc1OC.
What is the InChIKey of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]-3-phenylbenzenesulfonamide?
The InChIKey is AXUHCPXVPHUXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O5S/c1-20-16-23(32-38(33,34)24-11-7-10-22(17-24)21-8-5-4-6-9-21)12-13-27(20)37-28-14-15-31-26-19-30(36-3)29(35-2)18-25(26)28/h4-19,32H,1-3H3.
What are the key properties of N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]-3-phenylbenzenesulfonamide?
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]-3-phenylbenzenesulfonamide has a molecular weight of 526.61 g/mol, XLogP of 6.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-methylphenyl]-3-phenylbenzenesulfonamide is sourced from PubChem (CID 58229291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).