N-[4-(7-phenoxy-3,4-dihydroisoquinolin-1-yl)phenyl]naphthalene-2-sulfonamide

C31H24N2O3S — CID 22640511

IUPACN-[4-(7-phenoxy-3,4-dihydroisoquinolin-1-yl)phenyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(C2=NCCc3ccc(Oc4ccccc4)cc32)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C31H24N2O3S/c34-37(35,29-17-13-22-6-4-5-7-25(22)20-29)33-26-14-10-24(11-15-26)31-30-21-28(16-12-23(30)18-19-32-31)36-27-8-2-1-3-9-27/h1-17,20-21,33H,18-19H2
InChIKeyMMLQMRBFVRBOGV-UHFFFAOYSA-N
MW504.61 g/mol
LogP6.83
Rot. Bonds6

About N-[4-(7-phenoxy-3,4-dihydroisoquinolin-1-yl)phenyl]naphthalene-2-sulfonamide

N-[4-(7-phenoxy-3,4-dihydroisoquinolin-1-yl)phenyl]naphthalene-2-sulfonamide (PubChem CID 22640511) has the molecular formula C31H24N2O3S and a molecular weight of 504.61 g/mol. Its IUPAC name is N-[4-(7-phenoxy-3,4-dihydroisoquinolin-1-yl)phenyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(7-phenoxy-3,4-dihydroisoquinolin-1-yl)phenyl]naphthalene-2-sulfonamide
PubChem CID22640511
Molecular FormulaC31H24N2O3S
Molecular Weight504.61 g/mol
Exact Mass504.15
IUPAC NameN-[4-(7-phenoxy-3,4-dihydroisoquinolin-1-yl)phenyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(C2=NCCc3ccc(Oc4ccccc4)cc32)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C31H24N2O3S/c34-37(35,29-17-13-22-6-4-5-7-25(22)20-29)33-26-14-10-24(11-15-26)31-30-21-28(16-12-23(30)18-19-32-31)36-27-8-2-1-3-9-27/h1-17,20-21,33H,18-19H2
InChIKeyMMLQMRBFVRBOGV-UHFFFAOYSA-N
XLogP6.83
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.61
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[6-(trifluoromethyl)-3,4-dihydroisoquinolin-1-yl]phenyl]naphthalene-2-sulfonamide
CID 22640562
N-[4-(3,4-dihydroisoquinolin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 22640572
N-[4-(4-bromophenoxy)phenyl]naphthalene-2-sulfonamide
CID 1217806
N-[4-(3,4-dihydroisoquinolin-1-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 22640653
3,4-dichloro-N-(4-phenoxyphenyl)benzenesulfonamide
CID 21210578
3-(benzenesulfonyl)-N-[4-(3,4-dihydroisoquinolin-1-yl)phenyl]thiophene-2-sulfonamide
CID 22640453
3-(3,4-dichlorophenyl)sulfonyl-N-(4-phenoxyphenyl)benzenesulfonamide
CID 25048378
N-[4-(dimethylsulfamoyl)phenyl]naphthalene-2-sulfonamide
CID 2098625
N-(4-propan-2-ylphenyl)naphthalene-2-sulfonamide
CID 3997695
N-pyridin-3-ylnaphthalene-2-sulfonamide
CID 849014
2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetic acid
CID 2412067
N-naphthalen-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846619

Frequently Asked Questions

What is the IUPAC name of N-[4-(7-phenoxy-3,4-dihydroisoquinolin-1-yl)phenyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[4-(7-phenoxy-3,4-dihydroisoquinolin-1-yl)phenyl]naphthalene-2-sulfonamide (CID 22640511) is N-[4-(7-phenoxy-3,4-dihydroisoquinolin-1-yl)phenyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[4-(7-phenoxy-3,4-dihydroisoquinolin-1-yl)phenyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[4-(7-phenoxy-3,4-dihydroisoquinolin-1-yl)phenyl]naphthalene-2-sulfonamide is O=S(=O)(Nc1ccc(C2=NCCc3ccc(Oc4ccccc4)cc32)cc1)c1ccc2ccccc2c1.
What is the InChIKey of N-[4-(7-phenoxy-3,4-dihydroisoquinolin-1-yl)phenyl]naphthalene-2-sulfonamide?
The InChIKey is MMLQMRBFVRBOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N2O3S/c34-37(35,29-17-13-22-6-4-5-7-25(22)20-29)33-26-14-10-24(11-15-26)31-30-21-28(16-12-23(30)18-19-32-31)36-27-8-2-1-3-9-27/h1-17,20-21,33H,18-19H2.
What are the key properties of N-[4-(7-phenoxy-3,4-dihydroisoquinolin-1-yl)phenyl]naphthalene-2-sulfonamide?
N-[4-(7-phenoxy-3,4-dihydroisoquinolin-1-yl)phenyl]naphthalene-2-sulfonamide has a molecular weight of 504.61 g/mol, XLogP of 6.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-phenoxy-3,4-dihydroisoquinolin-1-yl)phenyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 22640511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).