2-nitro-N-(2-phenoxyethyl)benzenesulfonamide

C14H14N2O5S — CID 2302768

IUPAC2-nitro-N-(2-phenoxyethyl)benzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)NCCOc1ccccc1
InChIInChI=1S/C14H14N2O5S/c17-16(18)13-8-4-5-9-14(13)22(19,20)15-10-11-21-12-6-2-1-3-7-12/h1-9,15H,10-11H2
InChIKeyHBVLPUBTEXIGNQ-UHFFFAOYSA-N
MW322.34 g/mol
LogP1.95
Rot. Bonds7

About 2-nitro-N-(2-phenoxyethyl)benzenesulfonamide

2-nitro-N-(2-phenoxyethyl)benzenesulfonamide (PubChem CID 2302768) has the molecular formula C14H14N2O5S and a molecular weight of 322.34 g/mol. Its IUPAC name is 2-nitro-N-(2-phenoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-nitro-N-(2-phenoxyethyl)benzenesulfonamide
PubChem CID2302768
Molecular FormulaC14H14N2O5S
Molecular Weight322.34 g/mol
Exact Mass322.06
IUPAC Name2-nitro-N-(2-phenoxyethyl)benzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)NCCOc1ccccc1
InChIInChI=1S/C14H14N2O5S/c17-16(18)13-8-4-5-9-14(13)22(19,20)15-10-11-21-12-6-2-1-3-7-12/h1-9,15H,10-11H2
InChIKeyHBVLPUBTEXIGNQ-UHFFFAOYSA-N
XLogP1.95
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-nitro-N-(2-phenoxyethyl)benzenesulfonamide
CID 35609002
N-(2-naphthalen-2-yloxyethyl)-2-nitrobenzenesulfonamide
CID 26543227
2-nitro-N-[4-[(2-nitrophenyl)sulfonylamino]butyl]benzenesulfonamide
CID 3955828
2-amino-N-(2-phenoxyethyl)benzenesulfonamide;hydrochloride
CID 126467495
N-(3-hydroxypropyl)-2-nitrobenzenesulfonamide
CID 4145930
N-(3-cyclohexyloxypropyl)-2-nitrobenzenesulfonamide
CID 26541449
N-[2-(ethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride
CID 119973415
2-nitro-N-[2-[6-[2-[(2-nitrophenyl)sulfonylamino]ethyl]-2-pyridinyl]ethyl]benzenesulfonamide
CID 22506600
N-(4-methylpentyl)-2-nitrobenzenesulfonamide
CID 3322272
2-chloro-N-[2-(4-chlorophenoxy)ethyl]benzenesulfonamide
CID 30171874
2-nitro-N-[3-[(2-nitrophenyl)sulfonyl-[2-[(2-nitrophenyl)sulfonyl-[3-[(2-nitrophenyl)sulfonylamino]propyl]amino]ethyl]amino]propyl]benzenesulfonamide
CID 11104964
9,10-dioxo-N-(2-phenoxyethyl)anthracene-1-sulfonamide
CID 3855904

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-(2-phenoxyethyl)benzenesulfonamide?
The IUPAC name of 2-nitro-N-(2-phenoxyethyl)benzenesulfonamide (CID 2302768) is 2-nitro-N-(2-phenoxyethyl)benzenesulfonamide.
What is the SMILES notation for 2-nitro-N-(2-phenoxyethyl)benzenesulfonamide?
The canonical SMILES for 2-nitro-N-(2-phenoxyethyl)benzenesulfonamide is O=[N+]([O-])c1ccccc1S(=O)(=O)NCCOc1ccccc1.
What is the InChIKey of 2-nitro-N-(2-phenoxyethyl)benzenesulfonamide?
The InChIKey is HBVLPUBTEXIGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5S/c17-16(18)13-8-4-5-9-14(13)22(19,20)15-10-11-21-12-6-2-1-3-7-12/h1-9,15H,10-11H2.
What are the key properties of 2-nitro-N-(2-phenoxyethyl)benzenesulfonamide?
2-nitro-N-(2-phenoxyethyl)benzenesulfonamide has a molecular weight of 322.34 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-(2-phenoxyethyl)benzenesulfonamide is sourced from PubChem (CID 2302768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).