N-[1-(benzenesulfonyl)-6-phenyl-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide

C27H24N2O4S2 — CID 25006923

IUPACN-[1-(benzenesulfonyl)-6-phenyl-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide
SMILESO=S(=O)(NC1Cc2cc(-c3ccccc3)ccc2N(S(=O)(=O)c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C27H24N2O4S2/c30-34(31,25-12-6-2-7-13-25)28-24-19-23-18-22(21-10-4-1-5-11-21)16-17-27(23)29(20-24)35(32,33)26-14-8-3-9-15-26/h1-18,24,28H,19-20H2
InChIKeyQAAFFMLMDDGBGJ-UHFFFAOYSA-N
MW504.63 g/mol
LogP4.45
Rot. Bonds6

About N-[1-(benzenesulfonyl)-6-phenyl-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide

N-[1-(benzenesulfonyl)-6-phenyl-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide (PubChem CID 25006923) has the molecular formula C27H24N2O4S2 and a molecular weight of 504.63 g/mol. Its IUPAC name is N-[1-(benzenesulfonyl)-6-phenyl-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(benzenesulfonyl)-6-phenyl-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide
PubChem CID25006923
Molecular FormulaC27H24N2O4S2
Molecular Weight504.63 g/mol
Exact Mass504.12
IUPAC NameN-[1-(benzenesulfonyl)-6-phenyl-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide
SMILESO=S(=O)(NC1Cc2cc(-c3ccccc3)ccc2N(S(=O)(=O)c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C27H24N2O4S2/c30-34(31,25-12-6-2-7-13-25)28-24-19-23-18-22(21-10-4-1-5-11-21)16-17-27(23)29(20-24)35(32,33)26-14-8-3-9-15-26/h1-18,24,28H,19-20H2
InChIKeyQAAFFMLMDDGBGJ-UHFFFAOYSA-N
XLogP4.45
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.63
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(benzenesulfonyl)-6-phenyl-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide?
The IUPAC name of N-[1-(benzenesulfonyl)-6-phenyl-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide (CID 25006923) is N-[1-(benzenesulfonyl)-6-phenyl-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-(benzenesulfonyl)-6-phenyl-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide?
The canonical SMILES for N-[1-(benzenesulfonyl)-6-phenyl-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide is O=S(=O)(NC1Cc2cc(-c3ccccc3)ccc2N(S(=O)(=O)c2ccccc2)C1)c1ccccc1.
What is the InChIKey of N-[1-(benzenesulfonyl)-6-phenyl-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide?
The InChIKey is QAAFFMLMDDGBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O4S2/c30-34(31,25-12-6-2-7-13-25)28-24-19-23-18-22(21-10-4-1-5-11-21)16-17-27(23)29(20-24)35(32,33)26-14-8-3-9-15-26/h1-18,24,28H,19-20H2.
What are the key properties of N-[1-(benzenesulfonyl)-6-phenyl-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide?
N-[1-(benzenesulfonyl)-6-phenyl-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide has a molecular weight of 504.63 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzenesulfonyl)-6-phenyl-3,4-dihydro-2H-quinolin-3-yl]benzenesulfonamide is sourced from PubChem (CID 25006923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).