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

C15H16N2O5S — CID 26948552

IUPACN-[(2-methoxyphenyl)methyl]-2-methyl-5-nitrobenzenesulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C15H16N2O5S/c1-11-7-8-13(17(18)19)9-15(11)23(20,21)16-10-12-5-3-4-6-14(12)22-2/h3-9,16H,10H2,1-2H3
InChIKeyWCYJSVJUVCCZRP-UHFFFAOYSA-N
MW336.37 g/mol
LogP2.39
Rot. Bonds6

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

N-[(2-methoxyphenyl)methyl]-2-methyl-5-nitrobenzenesulfonamide (PubChem CID 26948552) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-methyl-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-methyl-5-nitrobenzenesulfonamide
PubChem CID26948552
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-methyl-5-nitrobenzenesulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C15H16N2O5S/c1-11-7-8-13(17(18)19)9-15(11)23(20,21)16-10-12-5-3-4-6-14(12)22-2/h3-9,16H,10H2,1-2H3
InChIKeyWCYJSVJUVCCZRP-UHFFFAOYSA-N
XLogP2.39
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.39
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-[(2-methoxyphenyl)methyl]-2,4-dinitrobenzenesulfonamide
CID 163650882
N-[4-(2-methoxyphenoxy)but-2-ynyl]-2-methyl-5-nitrobenzenesulfonamide
CID 90575732
2-methoxy-N-[(3-nitrophenyl)methyl]benzenesulfonamide
CID 86854873
N-[(2-ethoxy-3-pyridinyl)methyl]-2-methyl-5-nitrobenzenesulfonamide
CID 35389866
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-nitrobenzenesulfonamide
CID 2961539
4-chloro-N-[(2-methoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 19680723
(2-methoxyphenyl) 2-methyl-5-nitrobenzenesulfonate
CID 26946746
N-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-5-nitrobenzenesulfonamide
CID 92676674
2-methoxy-N-[(4-methylphenyl)methyl]-4-nitrobenzenesulfonamide
CID 39619479
2,4-dimethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 6468216
3-chloro-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 3299523
2-methoxy-5-nitro-N-propylbenzenesulfonamide
CID 43213176

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-methyl-5-nitrobenzenesulfonamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-methyl-5-nitrobenzenesulfonamide (CID 26948552) is N-[(2-methoxyphenyl)methyl]-2-methyl-5-nitrobenzenesulfonamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-methyl-5-nitrobenzenesulfonamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-methyl-5-nitrobenzenesulfonamide is COc1ccccc1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-methyl-5-nitrobenzenesulfonamide?
The InChIKey is WCYJSVJUVCCZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S/c1-11-7-8-13(17(18)19)9-15(11)23(20,21)16-10-12-5-3-4-6-14(12)22-2/h3-9,16H,10H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-methyl-5-nitrobenzenesulfonamide?
N-[(2-methoxyphenyl)methyl]-2-methyl-5-nitrobenzenesulfonamide has a molecular weight of 336.37 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-methyl-5-nitrobenzenesulfonamide is sourced from PubChem (CID 26948552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).