N-[3-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide

C26H20N2O4S2 — CID 53348032

IUPACN-[3-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(Nc1cccc(NS(=O)(=O)c2cccc3ccccc23)c1)c1cccc2ccccc12
InChIInChI=1S/C26H20N2O4S2/c29-33(30,25-16-5-10-19-8-1-3-14-23(19)25)27-21-12-7-13-22(18-21)28-34(31,32)26-17-6-11-20-9-2-4-15-24(20)26/h1-18,27-28H
InChIKeyRCNKSWBNZJTXAF-UHFFFAOYSA-N
MW488.59 g/mol
LogP5.59
Rot. Bonds6

About N-[3-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide

N-[3-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide (PubChem CID 53348032) has the molecular formula C26H20N2O4S2 and a molecular weight of 488.59 g/mol. Its IUPAC name is N-[3-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide
PubChem CID53348032
Molecular FormulaC26H20N2O4S2
Molecular Weight488.59 g/mol
Exact Mass488.09
IUPAC NameN-[3-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(Nc1cccc(NS(=O)(=O)c2cccc3ccccc23)c1)c1cccc2ccccc12
InChIInChI=1S/C26H20N2O4S2/c29-33(30,25-16-5-10-19-8-1-3-14-23(19)25)27-21-12-7-13-22(18-21)28-34(31,32)26-17-6-11-20-9-2-4-15-24(20)26/h1-18,27-28H
InChIKeyRCNKSWBNZJTXAF-UHFFFAOYSA-N
XLogP5.59
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.59
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[3-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide (CID 53348032) is N-[3-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[3-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[3-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide is O=S(=O)(Nc1cccc(NS(=O)(=O)c2cccc3ccccc23)c1)c1cccc2ccccc12.
What is the InChIKey of N-[3-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide?
The InChIKey is RCNKSWBNZJTXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O4S2/c29-33(30,25-16-5-10-19-8-1-3-14-23(19)25)27-21-12-7-13-22(18-21)28-34(31,32)26-17-6-11-20-9-2-4-15-24(20)26/h1-18,27-28H.
What are the key properties of N-[3-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide?
N-[3-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide has a molecular weight of 488.59 g/mol, XLogP of 5.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 53348032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).