N-(2-ethyl-6-methylphenyl)-4-methoxy-2-nitrobenzenesulfonamide

C16H18N2O5S — CID 18151538

IUPACN-(2-ethyl-6-methylphenyl)-4-methoxy-2-nitrobenzenesulfonamide
SMILESCCc1cccc(C)c1NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C16H18N2O5S/c1-4-12-7-5-6-11(2)16(12)17-24(21,22)15-9-8-13(23-3)10-14(15)18(19)20/h5-10,17H,4H2,1-3H3
InChIKeyBRIDCXKPHBFGPP-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.28
Rot. Bonds6

About N-(2-ethyl-6-methylphenyl)-4-methoxy-2-nitrobenzenesulfonamide

N-(2-ethyl-6-methylphenyl)-4-methoxy-2-nitrobenzenesulfonamide (PubChem CID 18151538) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-4-methoxy-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-4-methoxy-2-nitrobenzenesulfonamide
PubChem CID18151538
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC NameN-(2-ethyl-6-methylphenyl)-4-methoxy-2-nitrobenzenesulfonamide
SMILESCCc1cccc(C)c1NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C16H18N2O5S/c1-4-12-7-5-6-11(2)16(12)17-24(21,22)15-9-8-13(23-3)10-14(15)18(19)20/h5-10,17H,4H2,1-3H3
InChIKeyBRIDCXKPHBFGPP-UHFFFAOYSA-N
XLogP3.28
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.28
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-(2,6-difluorophenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18148013
N-(3-fluorophenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18147954
N-(3-bromophenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18147940
4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]-2-nitrobenzenesulfonamide
CID 31070036
N-[(2-fluorophenyl)methyl]-4-methoxy-2-nitrobenzenesulfonamide
CID 31068793
4-methoxy-N-[1-(2-methylphenyl)ethyl]-2-nitrobenzenesulfonamide
CID 51330818
4-methoxy-N-(2-methylsulfanylphenyl)-2-nitrobenzenesulfonamide
CID 18148049
4-methoxy-N-(2-methylquinolin-8-yl)-2-nitrobenzenesulfonamide
CID 23631949
N-(3,4-dimethoxyphenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18148017
N-(2-ethyl-6-methylphenyl)-4-nitrobenzenesulfonamide
CID 796499
N-[3-(dimethylsulfamoyl)phenyl]-4-methoxy-2-nitrobenzenesulfonamide
CID 18274871
N-(3,4-difluorophenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18148015

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-4-methoxy-2-nitrobenzenesulfonamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-4-methoxy-2-nitrobenzenesulfonamide (CID 18151538) is N-(2-ethyl-6-methylphenyl)-4-methoxy-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-4-methoxy-2-nitrobenzenesulfonamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-4-methoxy-2-nitrobenzenesulfonamide is CCc1cccc(C)c1NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-].
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-4-methoxy-2-nitrobenzenesulfonamide?
The InChIKey is BRIDCXKPHBFGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-4-12-7-5-6-11(2)16(12)17-24(21,22)15-9-8-13(23-3)10-14(15)18(19)20/h5-10,17H,4H2,1-3H3.
What are the key properties of N-(2-ethyl-6-methylphenyl)-4-methoxy-2-nitrobenzenesulfonamide?
N-(2-ethyl-6-methylphenyl)-4-methoxy-2-nitrobenzenesulfonamide has a molecular weight of 350.40 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-4-methoxy-2-nitrobenzenesulfonamide is sourced from PubChem (CID 18151538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).