N-[3-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-4-phenylbenzenesulfinamide

C27H24N2OS — CID 176928082

IUPACN-[3-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-4-phenylbenzenesulfinamide
SMILESO=S(Nc1cccc(N2CCCc3ccccc32)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H24N2OS/c30-31(26-17-15-22(16-18-26)21-8-2-1-3-9-21)28-24-12-6-13-25(20-24)29-19-7-11-23-10-4-5-14-27(23)29/h1-6,8-10,12-18,20,28H,7,11,19H2
InChIKeyRIDPMGSDSBVNHF-UHFFFAOYSA-N
MW424.57 g/mol
LogP6.57
Rot. Bonds5

About N-[3-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-4-phenylbenzenesulfinamide

N-[3-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-4-phenylbenzenesulfinamide (PubChem CID 176928082) has the molecular formula C27H24N2OS and a molecular weight of 424.57 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-4-phenylbenzenesulfinamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-4-phenylbenzenesulfinamide
PubChem CID176928082
Molecular FormulaC27H24N2OS
Molecular Weight424.57 g/mol
Exact Mass424.16
IUPAC NameN-[3-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-4-phenylbenzenesulfinamide
SMILESO=S(Nc1cccc(N2CCCc3ccccc32)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H24N2OS/c30-31(26-17-15-22(16-18-26)21-8-2-1-3-9-21)28-24-12-6-13-25(20-24)29-19-7-11-23-10-4-5-14-27(23)29/h1-6,8-10,12-18,20,28H,7,11,19H2
InChIKeyRIDPMGSDSBVNHF-UHFFFAOYSA-N
XLogP6.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.57
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-4-phenylbenzenesulfinamide?
The IUPAC name of N-[3-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-4-phenylbenzenesulfinamide (CID 176928082) is N-[3-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-4-phenylbenzenesulfinamide.
What is the SMILES notation for N-[3-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-4-phenylbenzenesulfinamide?
The canonical SMILES for N-[3-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-4-phenylbenzenesulfinamide is O=S(Nc1cccc(N2CCCc3ccccc32)c1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[3-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-4-phenylbenzenesulfinamide?
The InChIKey is RIDPMGSDSBVNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2OS/c30-31(26-17-15-22(16-18-26)21-8-2-1-3-9-21)28-24-12-6-13-25(20-24)29-19-7-11-23-10-4-5-14-27(23)29/h1-6,8-10,12-18,20,28H,7,11,19H2.
What are the key properties of N-[3-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-4-phenylbenzenesulfinamide?
N-[3-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-4-phenylbenzenesulfinamide has a molecular weight of 424.57 g/mol, XLogP of 6.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-2H-quinolin-1-yl)phenyl]-4-phenylbenzenesulfinamide is sourced from PubChem (CID 176928082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).