N-(2-nitrophenyl)naphthalene-2-sulfonamide

C16H12N2O4S — CID 19203612

IUPACN-(2-nitrophenyl)naphthalene-2-sulfonamide
SMILESO=[N+]([O-])c1ccccc1NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H12N2O4S/c19-18(20)16-8-4-3-7-15(16)17-23(21,22)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,17H
InChIKeyVVRPASNPFCUMMM-UHFFFAOYSA-N
MW328.35 g/mol
LogP3.55
Rot. Bonds4

About N-(2-nitrophenyl)naphthalene-2-sulfonamide

N-(2-nitrophenyl)naphthalene-2-sulfonamide (PubChem CID 19203612) has the molecular formula C16H12N2O4S and a molecular weight of 328.35 g/mol. Its IUPAC name is N-(2-nitrophenyl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-nitrophenyl)naphthalene-2-sulfonamide
PubChem CID19203612
Molecular FormulaC16H12N2O4S
Molecular Weight328.35 g/mol
Exact Mass328.05
IUPAC NameN-(2-nitrophenyl)naphthalene-2-sulfonamide
SMILESO=[N+]([O-])c1ccccc1NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C16H12N2O4S/c19-18(20)16-8-4-3-7-15(16)17-23(21,22)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,17H
InChIKeyVVRPASNPFCUMMM-UHFFFAOYSA-N
XLogP3.55
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 53.55
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-(5-nitronaphthalen-1-yl)naphthalene-2-sulfonamide
CID 2945239
N-[5-(naphthalen-2-ylsulfonylamino)naphthalen-1-yl]naphthalene-2-sulfonamide
CID 3407912
N-(2-methylphenyl)naphthalene-2-sulfonamide
CID 3308551
2-chloro-N-(2-nitrophenyl)pyridine-4-sulfonamide
CID 61051817
2-nitro-N-(2-nitrophenyl)benzenesulfonamide
CID 2827773
4-(bromomethyl)-N-(2-nitrophenyl)benzenesulfonamide
CID 65481606
N-[2-(benzenesulfonamido)-4,5-dinitrophenyl]benzenesulfonamide
CID 142740286
N-(2-phenylsulfanylphenyl)naphthalene-2-sulfonamide
CID 5025961
N-(3-fluoro-2-hydroxyphenyl)naphthalene-2-sulfonamide
CID 150166464
N-(methylsulfamoyl)-2-nitroaniline
CID 127505599
N-[(S)-diphenylphosphoryl-(2-nitrophenyl)methyl]naphthalene-2-sulfonamide
CID 2320675
N-(2,3,4-trifluorophenyl)naphthalene-2-sulfonamide
CID 9464601

Frequently Asked Questions

What is the IUPAC name of N-(2-nitrophenyl)naphthalene-2-sulfonamide?
The IUPAC name of N-(2-nitrophenyl)naphthalene-2-sulfonamide (CID 19203612) is N-(2-nitrophenyl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-(2-nitrophenyl)naphthalene-2-sulfonamide?
The canonical SMILES for N-(2-nitrophenyl)naphthalene-2-sulfonamide is O=[N+]([O-])c1ccccc1NS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(2-nitrophenyl)naphthalene-2-sulfonamide?
The InChIKey is VVRPASNPFCUMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4S/c19-18(20)16-8-4-3-7-15(16)17-23(21,22)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,17H.
What are the key properties of N-(2-nitrophenyl)naphthalene-2-sulfonamide?
N-(2-nitrophenyl)naphthalene-2-sulfonamide has a molecular weight of 328.35 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenyl)naphthalene-2-sulfonamide is sourced from PubChem (CID 19203612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).