N-naphthalen-1-yl-2-nitrobenzenesulfonamide

C16H12N2O4S — CID 681787

IUPACN-naphthalen-1-yl-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc2ccccc12
InChIInChI=1S/C16H12N2O4S/c19-18(20)15-10-3-4-11-16(15)23(21,22)17-14-9-5-7-12-6-1-2-8-13(12)14/h1-11,17H
InChIKeyYPAFWESEDDOFFH-UHFFFAOYSA-N
MW328.35 g/mol
LogP3.55
Rot. Bonds4

About N-naphthalen-1-yl-2-nitrobenzenesulfonamide

N-naphthalen-1-yl-2-nitrobenzenesulfonamide (PubChem CID 681787) has the molecular formula C16H12N2O4S and a molecular weight of 328.35 g/mol. Its IUPAC name is N-naphthalen-1-yl-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-2-nitrobenzenesulfonamide
PubChem CID681787
Molecular FormulaC16H12N2O4S
Molecular Weight328.35 g/mol
Exact Mass328.05
IUPAC NameN-naphthalen-1-yl-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc2ccccc12
InChIInChI=1S/C16H12N2O4S/c19-18(20)15-10-3-4-11-16(15)23(21,22)17-14-9-5-7-12-6-1-2-8-13(12)14/h1-11,17H
InChIKeyYPAFWESEDDOFFH-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

2-nitro-N-(2-nitrophenyl)benzenesulfonamide
CID 2827773
N-[2-(methanesulfonamido)phenyl]-2-nitrobenzenesulfonamide
CID 39837774
N-(2-methylphenyl)-2-nitrobenzenesulfonamide
CID 786523
N-(2-formylphenyl)-2-nitrobenzenesulfonamide
CID 86621161
N-(3-amino-2-methylphenyl)-2-nitrobenzenesulfonamide
CID 43605074
N-(5-nitronaphthalen-1-yl)naphthalene-2-sulfonamide
CID 2945239
N-(2-butylphenyl)-2-nitrobenzenesulfonamide
CID 22774386
3-methyl-N-naphthalen-1-yl-2-[(2-nitrophenyl)sulfonylamino]butanamide
CID 2891907
2-[(2-nitrophenyl)sulfonylamino]benzamide
CID 819659
N-(2,6-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 3266243
2-nitro-N-(2-phenoxyphenyl)benzenesulfonamide
CID 4142655
N-(4-iodophenyl)-2-nitrobenzenesulfonamide
CID 1380183

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-2-nitrobenzenesulfonamide?
The IUPAC name of N-naphthalen-1-yl-2-nitrobenzenesulfonamide (CID 681787) is N-naphthalen-1-yl-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-naphthalen-1-yl-2-nitrobenzenesulfonamide?
The canonical SMILES for N-naphthalen-1-yl-2-nitrobenzenesulfonamide is O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc2ccccc12.
What is the InChIKey of N-naphthalen-1-yl-2-nitrobenzenesulfonamide?
The InChIKey is YPAFWESEDDOFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4S/c19-18(20)15-10-3-4-11-16(15)23(21,22)17-14-9-5-7-12-6-1-2-8-13(12)14/h1-11,17H.
What are the key properties of N-naphthalen-1-yl-2-nitrobenzenesulfonamide?
N-naphthalen-1-yl-2-nitrobenzenesulfonamide 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-naphthalen-1-yl-2-nitrobenzenesulfonamide is sourced from PubChem (CID 681787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).