N-[4-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide

C26H20N2O4S2 — CID 2946861

IUPACN-[4-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(Nc1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1)c1cccc2ccccc12
InChIInChI=1S/C26H20N2O4S2/c29-33(30,25-13-5-9-19-7-1-3-11-23(19)25)27-21-15-17-22(18-16-21)28-34(31,32)26-14-6-10-20-8-2-4-12-24(20)26/h1-18,27-28H
InChIKeySPPDPJNNCRRRGV-UHFFFAOYSA-N
MW488.59 g/mol
LogP5.59
Rot. Bonds6

About N-[4-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide

N-[4-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide (PubChem CID 2946861) has the molecular formula C26H20N2O4S2 and a molecular weight of 488.59 g/mol. Its IUPAC name is N-[4-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide
PubChem CID2946861
Molecular FormulaC26H20N2O4S2
Molecular Weight488.59 g/mol
Exact Mass488.09
IUPAC NameN-[4-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(Nc1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1)c1cccc2ccccc12
InChIInChI=1S/C26H20N2O4S2/c29-33(30,25-13-5-9-19-7-1-3-11-23(19)25)27-21-15-17-22(18-16-21)28-34(31,32)26-14-6-10-20-8-2-4-12-24(20)26/h1-18,27-28H
InChIKeySPPDPJNNCRRRGV-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_D(2)', 'substructure': 'N/A'}

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Related Compounds

4',4'''-Bi[benzenesulfonanilide]
CID 231867
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-(2-(4-amino-1-naphthalenyl)diazenyl)-
CID 5463299
n-(1-Naphthyl)benzenesulfonamide
CID 253799
5-((5-Sulfamoylnaphthalen-2-yl)diazenyl)naphthalene-1-sulfonic acid
CID 232556
N-(2-naphthyl)benzenesulfonamide
CID 346543
N,N'-(naphthalene-1,5-diyl)bis(4-methylbenzenesulfonamide)
CID 286383
4,4'-Bis((4-amino-1-naphthyl)azo)stilbene-2,2'-disulphonic acid
CID 94848
N-(1-naphthyl)-2-naphthalenesulfonamide
CID 3692610
N,N'-1,3-Phenylenebis[1-naphthalenesulfonamide]
CID 53348032
N-(3,4-dimethylphenyl)-2-naphthalenesulfonamide
CID 965237
N-1-naphthyl-4-[(phenylsulfonyl)amino]benzenesulfonamide
CID 1329834
N,N'-1,4-naphthalenediylbis(4-methylbenzenesulfonamide)
CID 1381629

Frequently Asked Questions

What is the IUPAC name of N-[4-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[4-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide (CID 2946861) is N-[4-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[4-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[4-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide is O=S(=O)(Nc1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1)c1cccc2ccccc12.
What is the InChIKey of N-[4-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide?
The InChIKey is SPPDPJNNCRRRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O4S2/c29-33(30,25-13-5-9-19-7-1-3-11-23(19)25)27-21-15-17-22(18-16-21)28-34(31,32)26-14-6-10-20-8-2-4-12-24(20)26/h1-18,27-28H.
What are the key properties of N-[4-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide?
N-[4-(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-[4-(naphthalen-1-ylsulfonylamino)phenyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 2946861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).