N-(2-methoxyphenyl)-2-methyl-5-nitrobenzenesulfonamide

C14H14N2O5S — CID 2920660

IUPACN-(2-methoxyphenyl)-2-methyl-5-nitrobenzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C14H14N2O5S/c1-10-7-8-11(16(17)18)9-14(10)22(19,20)15-12-5-3-4-6-13(12)21-2/h3-9,15H,1-2H3
InChIKeyLXKXYTQYMVGHHE-UHFFFAOYSA-N
MW322.34 g/mol
LogP2.71
Rot. Bonds5

About N-(2-methoxyphenyl)-2-methyl-5-nitrobenzenesulfonamide

N-(2-methoxyphenyl)-2-methyl-5-nitrobenzenesulfonamide (PubChem CID 2920660) has the molecular formula C14H14N2O5S and a molecular weight of 322.34 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-methyl-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-methyl-5-nitrobenzenesulfonamide
PubChem CID2920660
Molecular FormulaC14H14N2O5S
Molecular Weight322.34 g/mol
Exact Mass322.06
IUPAC NameN-(2-methoxyphenyl)-2-methyl-5-nitrobenzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C14H14N2O5S/c1-10-7-8-11(16(17)18)9-14(10)22(19,20)15-12-5-3-4-6-13(12)21-2/h3-9,15H,1-2H3
InChIKeyLXKXYTQYMVGHHE-UHFFFAOYSA-N
XLogP2.71
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 52.71
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-(2-methoxyphenyl)-2-methyl-5-nitrobenzenesulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-2-methyl-5-nitrobenzenesulfonamide (CID 2920660) is N-(2-methoxyphenyl)-2-methyl-5-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-methyl-5-nitrobenzenesulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-methyl-5-nitrobenzenesulfonamide is COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C.
What is the InChIKey of N-(2-methoxyphenyl)-2-methyl-5-nitrobenzenesulfonamide?
The InChIKey is LXKXYTQYMVGHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5S/c1-10-7-8-11(16(17)18)9-14(10)22(19,20)15-12-5-3-4-6-13(12)21-2/h3-9,15H,1-2H3.
What are the key properties of N-(2-methoxyphenyl)-2-methyl-5-nitrobenzenesulfonamide?
N-(2-methoxyphenyl)-2-methyl-5-nitrobenzenesulfonamide has a molecular weight of 322.34 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-methyl-5-nitrobenzenesulfonamide is sourced from PubChem (CID 2920660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).