N-(4-methoxy-2-nitrophenyl)-2,4,6-trimethylbenzenesulfonamide

C16H18N2O5S — CID 2843223

IUPACN-(4-methoxy-2-nitrophenyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)c([N+](=O)[O-])c1
InChIInChI=1S/C16H18N2O5S/c1-10-7-11(2)16(12(3)8-10)24(21,22)17-14-6-5-13(23-4)9-15(14)18(19)20/h5-9,17H,1-4H3
InChIKeyIKVUKWFTBAOSFP-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.33
Rot. Bonds5

About N-(4-methoxy-2-nitrophenyl)-2,4,6-trimethylbenzenesulfonamide

N-(4-methoxy-2-nitrophenyl)-2,4,6-trimethylbenzenesulfonamide (PubChem CID 2843223) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-2,4,6-trimethylbenzenesulfonamide
PubChem CID2843223
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC NameN-(4-methoxy-2-nitrophenyl)-2,4,6-trimethylbenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)c([N+](=O)[O-])c1
InChIInChI=1S/C16H18N2O5S/c1-10-7-11(2)16(12(3)8-10)24(21,22)17-14-6-5-13(23-4)9-15(14)18(19)20/h5-9,17H,1-4H3
InChIKeyIKVUKWFTBAOSFP-UHFFFAOYSA-N
XLogP3.33
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.33
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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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-2,4,6-trimethylbenzenesulfonamide (CID 2843223) is N-(4-methoxy-2-nitrophenyl)-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-2,4,6-trimethylbenzenesulfonamide is COc1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is IKVUKWFTBAOSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-10-7-11(2)16(12(3)8-10)24(21,22)17-14-6-5-13(23-4)9-15(14)18(19)20/h5-9,17H,1-4H3.
What are the key properties of N-(4-methoxy-2-nitrophenyl)-2,4,6-trimethylbenzenesulfonamide?
N-(4-methoxy-2-nitrophenyl)-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 350.40 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 2843223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).