2-nitro-N-phenacylbenzenesulfonamide

C14H12N2O5S — CID 12517296

IUPAC2-nitro-N-phenacylbenzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C14H12N2O5S/c17-13(11-6-2-1-3-7-11)10-15-22(20,21)14-9-5-4-8-12(14)16(18)19/h1-9,15H,10H2
InChIKeyDWJQYRWUCKYABI-UHFFFAOYSA-N
MW320.33 g/mol
LogP1.76
Rot. Bonds6

About 2-nitro-N-phenacylbenzenesulfonamide

2-nitro-N-phenacylbenzenesulfonamide (PubChem CID 12517296) has the molecular formula C14H12N2O5S and a molecular weight of 320.33 g/mol. Its IUPAC name is 2-nitro-N-phenacylbenzenesulfonamide.

Molecular Properties

Compound Name2-nitro-N-phenacylbenzenesulfonamide
PubChem CID12517296
Molecular FormulaC14H12N2O5S
Molecular Weight320.33 g/mol
Exact Mass320.05
IUPAC Name2-nitro-N-phenacylbenzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C14H12N2O5S/c17-13(11-6-2-1-3-7-11)10-15-22(20,21)14-9-5-4-8-12(14)16(18)19/h1-9,15H,10H2
InChIKeyDWJQYRWUCKYABI-UHFFFAOYSA-N
XLogP1.76
TPSA106.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3-methyl-2-oxobut-3-enyl)-2-nitrobenzenesulfonamide
CID 71423746
N-(3-hydroxypropyl)-2-nitrobenzenesulfonamide
CID 4145930
N'-hydroxy-2-[(2-nitrophenyl)sulfonylamino]ethanimidamide
CID 135248443
2-nitro-N-[4-[(2-nitrophenyl)sulfonylamino]butyl]benzenesulfonamide
CID 3955828
N-[2-benzyl-4-hydroxy-3-(hydroxymethyl)but-2-enyl]-2-nitrobenzenesulfonamide
CID 71492229
N-(4-chlorophenyl)-2-[(2-nitrophenyl)sulfonylamino]acetamide
CID 127031219
N-[(5-benzoylthiophen-2-yl)methyl]-2-nitrobenzenesulfonamide
CID 90613030
2-nitro-N-[3-[(2-nitrophenyl)sulfonyl-[2-[(2-nitrophenyl)sulfonyl-[3-[(2-nitrophenyl)sulfonylamino]propyl]amino]ethyl]amino]propyl]benzenesulfonamide
CID 11104964
2-nitro-N-(2-phenoxyethyl)benzenesulfonamide
CID 2302768
3-amino-N-[2-[(2-nitrophenyl)sulfonylamino]ethyl]propanamide;hydrochloride
CID 119329222
(2S)-2-[(2-nitrophenyl)sulfonylamino]propanoic acid
CID 767456
(2R)-2-[(2-nitrophenyl)sulfonylamino]propanoic acid
CID 767454

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-phenacylbenzenesulfonamide?
The IUPAC name of 2-nitro-N-phenacylbenzenesulfonamide (CID 12517296) is 2-nitro-N-phenacylbenzenesulfonamide.
What is the SMILES notation for 2-nitro-N-phenacylbenzenesulfonamide?
The canonical SMILES for 2-nitro-N-phenacylbenzenesulfonamide is O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of 2-nitro-N-phenacylbenzenesulfonamide?
The InChIKey is DWJQYRWUCKYABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5S/c17-13(11-6-2-1-3-7-11)10-15-22(20,21)14-9-5-4-8-12(14)16(18)19/h1-9,15H,10H2.
What are the key properties of 2-nitro-N-phenacylbenzenesulfonamide?
2-nitro-N-phenacylbenzenesulfonamide has a molecular weight of 320.33 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-phenacylbenzenesulfonamide is sourced from PubChem (CID 12517296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).