potassium N-(4-nitro-2-phenoxyphenyl)methanesulfonamide

C13H12KN2O5S+ — CID 23696305

IUPACpotassium N-(4-nitro-2-phenoxyphenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1.[K+]
InChIInChI=1S/C13H12N2O5S.K/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11;/h2-9,14H,1H3;/q;+1
InChIKeyAYTDJRMMGZPINK-UHFFFAOYSA-N
MW347.41 g/mol
LogP-0.24
Rot. Bonds5

About potassium N-(4-nitro-2-phenoxyphenyl)methanesulfonamide

potassium N-(4-nitro-2-phenoxyphenyl)methanesulfonamide (PubChem CID 23696305) has the molecular formula C13H12KN2O5S+ and a molecular weight of 347.41 g/mol. Its IUPAC name is potassium N-(4-nitro-2-phenoxyphenyl)methanesulfonamide.

Molecular Properties

Compound Namepotassium N-(4-nitro-2-phenoxyphenyl)methanesulfonamide
PubChem CID23696305
Molecular FormulaC13H12KN2O5S+
Molecular Weight347.41 g/mol
Exact Mass347.01
IUPAC Namepotassium N-(4-nitro-2-phenoxyphenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1.[K+]
InChIInChI=1S/C13H12N2O5S.K/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11;/h2-9,14H,1H3;/q;+1
InChIKeyAYTDJRMMGZPINK-UHFFFAOYSA-N
XLogP-0.24
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 5-0.24
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-(4-nitro-2-phenoxyphenyl)sulfamoyl iodide
CID 142985344
2-acetyloxybenzoic acid;N-(4-nitro-2-phenoxyphenyl)methanesulfonamide
CID 11329271
N-methyl-4-nitro-2-phenoxyaniline
CID 149465718
N-[2-(1-benzothiophen-5-yloxy)-4-nitrophenyl]methanesulfonamide
CID 19073292
azanide;methylsulfonyl-(4-nitro-2-phenoxyphenyl)azanide;platinum
CID 153281757
2-chloro-N-[5-(methanesulfonamido)-2-nitro-4-phenoxyphenyl]acetamide
CID 15285981
N-(2-hexoxy-4-nitrophenyl)methanesulfonamide
CID 11493409
methanamine;methylsulfonyl-(4-nitro-2-phenoxyphenyl)sulfamic acid
CID 11704440
sodium N-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide
CID 67863952
N-(2-methoxy-4-nitrophenyl)-2-phenoxyethanesulfonamide
CID 90518275
N-(5-methoxy-2-phenoxyphenyl)methanesulfonamide
CID 10803650
N-(6-phenoxy-1,3-dihydro-2-benzofuran-5-yl)methanesulfonamide
CID 13069209

Frequently Asked Questions

What is the IUPAC name of potassium N-(4-nitro-2-phenoxyphenyl)methanesulfonamide?
The IUPAC name of potassium N-(4-nitro-2-phenoxyphenyl)methanesulfonamide (CID 23696305) is potassium N-(4-nitro-2-phenoxyphenyl)methanesulfonamide.
What is the SMILES notation for potassium N-(4-nitro-2-phenoxyphenyl)methanesulfonamide?
The canonical SMILES for potassium N-(4-nitro-2-phenoxyphenyl)methanesulfonamide is CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1.[K+].
What is the InChIKey of potassium N-(4-nitro-2-phenoxyphenyl)methanesulfonamide?
The InChIKey is AYTDJRMMGZPINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5S.K/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11;/h2-9,14H,1H3;/q;+1.
What are the key properties of potassium N-(4-nitro-2-phenoxyphenyl)methanesulfonamide?
potassium N-(4-nitro-2-phenoxyphenyl)methanesulfonamide has a molecular weight of 347.41 g/mol, XLogP of -0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium N-(4-nitro-2-phenoxyphenyl)methanesulfonamide is sourced from PubChem (CID 23696305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).