4-nitro-2-[(4-propan-2-ylphenyl)sulfonylamino]phenolate

C15H15N2O5S- — CID 7938828

IUPAC4-nitro-2-[(4-propan-2-ylphenyl)sulfonylamino]phenolate
SMILESCC(C)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1
InChIInChI=1S/C15H16N2O5S/c1-10(2)11-3-6-13(7-4-11)23(21,22)16-14-9-12(17(19)20)5-8-15(14)18/h3-10,16,18H,1-2H3/p-1
InChIKeySQNRMHKDBUQGRX-UHFFFAOYSA-M
MW335.36 g/mol
LogP2.59
Rot. Bonds5

About 4-nitro-2-[(4-propan-2-ylphenyl)sulfonylamino]phenolate

4-nitro-2-[(4-propan-2-ylphenyl)sulfonylamino]phenolate (PubChem CID 7938828) has the molecular formula C15H15N2O5S- and a molecular weight of 335.36 g/mol. Its IUPAC name is 4-nitro-2-[(4-propan-2-ylphenyl)sulfonylamino]phenolate.

Molecular Properties

Compound Name4-nitro-2-[(4-propan-2-ylphenyl)sulfonylamino]phenolate
PubChem CID7938828
Molecular FormulaC15H15N2O5S-
Molecular Weight335.36 g/mol
Exact Mass335.07
IUPAC Name4-nitro-2-[(4-propan-2-ylphenyl)sulfonylamino]phenolate
SMILESCC(C)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1
InChIInChI=1S/C15H16N2O5S/c1-10(2)11-3-6-13(7-4-11)23(21,22)16-14-9-12(17(19)20)5-8-15(14)18/h3-10,16,18H,1-2H3/p-1
InChIKeySQNRMHKDBUQGRX-UHFFFAOYSA-M
XLogP2.59
TPSA112.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.59
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'}

Analyze 4-nitro-2-[(4-propan-2-ylphenyl)sulfonylamino]phenolate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methyl-5-nitrophenyl)-4-propan-2-ylbenzenesulfonamide
CID 7938611
N-(2-methoxy-4-nitrophenyl)-4-propan-2-ylbenzenesulfonamide
CID 22774306
N-(2-amino-5-nitrophenyl)-4-chlorobenzenesulfonamide
CID 4313081
1-(4-nitrophenyl)-3-[4-[(4-propan-2-ylphenyl)sulfamoyl]phenyl]urea
CID 166423466
N-(2-methoxy-4-nitrophenyl)-4-nitrobenzenesulfonamide
CID 3300221
4-chloro-N-(2-chloro-4-nitrophenyl)benzenesulfonamide
CID 2796797
4-tert-butyl-N-(2-fluoro-5-nitrophenyl)benzenesulfonamide
CID 22774500
N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 798871
N-(2-methoxy-5-nitrophenyl)-4-methylsulfonylbenzenesulfonamide
CID 39392767
N-(2,5-dimethylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 7573896
N-(2-chloro-4-nitrophenyl)-4-fluorobenzenesulfonamide
CID 60631764
N-[4-[(2R)-butan-2-yl]phenyl]-4-nitrobenzenesulfonamide
CID 796582

Frequently Asked Questions

What is the IUPAC name of 4-nitro-2-[(4-propan-2-ylphenyl)sulfonylamino]phenolate?
The IUPAC name of 4-nitro-2-[(4-propan-2-ylphenyl)sulfonylamino]phenolate (CID 7938828) is 4-nitro-2-[(4-propan-2-ylphenyl)sulfonylamino]phenolate.
What is the SMILES notation for 4-nitro-2-[(4-propan-2-ylphenyl)sulfonylamino]phenolate?
The canonical SMILES for 4-nitro-2-[(4-propan-2-ylphenyl)sulfonylamino]phenolate is CC(C)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1.
What is the InChIKey of 4-nitro-2-[(4-propan-2-ylphenyl)sulfonylamino]phenolate?
The InChIKey is SQNRMHKDBUQGRX-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H16N2O5S/c1-10(2)11-3-6-13(7-4-11)23(21,22)16-14-9-12(17(19)20)5-8-15(14)18/h3-10,16,18H,1-2H3/p-1.
What are the key properties of 4-nitro-2-[(4-propan-2-ylphenyl)sulfonylamino]phenolate?
4-nitro-2-[(4-propan-2-ylphenyl)sulfonylamino]phenolate has a molecular weight of 335.36 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-2-[(4-propan-2-ylphenyl)sulfonylamino]phenolate is sourced from PubChem (CID 7938828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).