N-(5-nitronaphthalen-1-yl)naphthalene-2-sulfonamide

C20H14N2O4S — CID 2945239

IUPACN-(5-nitronaphthalen-1-yl)naphthalene-2-sulfonamide
SMILESO=[N+]([O-])c1cccc2c(NS(=O)(=O)c3ccc4ccccc4c3)cccc12
InChIInChI=1S/C20H14N2O4S/c23-22(24)20-10-4-7-17-18(20)8-3-9-19(17)21-27(25,26)16-12-11-14-5-1-2-6-15(14)13-16/h1-13,21H
InChIKeyVZUQGDCUDVACOH-UHFFFAOYSA-N
MW378.41 g/mol
LogP4.70
Rot. Bonds4

About N-(5-nitronaphthalen-1-yl)naphthalene-2-sulfonamide

N-(5-nitronaphthalen-1-yl)naphthalene-2-sulfonamide (PubChem CID 2945239) has the molecular formula C20H14N2O4S and a molecular weight of 378.41 g/mol. Its IUPAC name is N-(5-nitronaphthalen-1-yl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(5-nitronaphthalen-1-yl)naphthalene-2-sulfonamide
PubChem CID2945239
Molecular FormulaC20H14N2O4S
Molecular Weight378.41 g/mol
Exact Mass378.07
IUPAC NameN-(5-nitronaphthalen-1-yl)naphthalene-2-sulfonamide
SMILESO=[N+]([O-])c1cccc2c(NS(=O)(=O)c3ccc4ccccc4c3)cccc12
InChIInChI=1S/C20H14N2O4S/c23-22(24)20-10-4-7-17-18(20)8-3-9-19(17)21-27(25,26)16-12-11-14-5-1-2-6-15(14)13-16/h1-13,21H
InChIKeyVZUQGDCUDVACOH-UHFFFAOYSA-N
XLogP4.70
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-nitrophenyl)naphthalene-2-sulfonamide
CID 19203612
N-[5-(naphthalen-2-ylsulfonylamino)naphthalen-1-yl]naphthalene-2-sulfonamide
CID 3407912
4-ethoxy-N-(5-nitronaphthalen-1-yl)benzenesulfonamide
CID 2946307
N-(4-chloronaphthalen-1-yl)naphthalene-2-sulfonamide
CID 3457821
N-naphthalen-1-yl-2-nitrobenzenesulfonamide
CID 681787
N-(2-methylphenyl)naphthalene-2-sulfonamide
CID 3308551
N-(3-fluoro-2-hydroxyphenyl)naphthalene-2-sulfonamide
CID 150166464
N-(2-chloro-3-nitrophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 87933653
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]naphthalene-2-sulfonamide
CID 126387209
N-[5-(benzenesulfonamido)naphthalen-1-yl]benzenesulfonamide
CID 3389796
N-[2-(benzenesulfonamido)-4,5-dinitrophenyl]benzenesulfonamide
CID 142740286
N-(2,3-dichlorophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 3322444

Frequently Asked Questions

What is the IUPAC name of N-(5-nitronaphthalen-1-yl)naphthalene-2-sulfonamide?
The IUPAC name of N-(5-nitronaphthalen-1-yl)naphthalene-2-sulfonamide (CID 2945239) is N-(5-nitronaphthalen-1-yl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-(5-nitronaphthalen-1-yl)naphthalene-2-sulfonamide?
The canonical SMILES for N-(5-nitronaphthalen-1-yl)naphthalene-2-sulfonamide is O=[N+]([O-])c1cccc2c(NS(=O)(=O)c3ccc4ccccc4c3)cccc12.
What is the InChIKey of N-(5-nitronaphthalen-1-yl)naphthalene-2-sulfonamide?
The InChIKey is VZUQGDCUDVACOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O4S/c23-22(24)20-10-4-7-17-18(20)8-3-9-19(17)21-27(25,26)16-12-11-14-5-1-2-6-15(14)13-16/h1-13,21H.
What are the key properties of N-(5-nitronaphthalen-1-yl)naphthalene-2-sulfonamide?
N-(5-nitronaphthalen-1-yl)naphthalene-2-sulfonamide has a molecular weight of 378.41 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-nitronaphthalen-1-yl)naphthalene-2-sulfonamide is sourced from PubChem (CID 2945239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).