N-(2,4-dimethoxyphenyl)-N-ethyl-4-nitrobenzenesulfonamide

C16H18N2O6S — CID 100526233

IUPACN-(2,4-dimethoxyphenyl)-N-ethyl-4-nitrobenzenesulfonamide
SMILESCCN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H18N2O6S/c1-4-17(15-10-7-13(23-2)11-16(15)24-3)25(21,22)14-8-5-12(6-9-14)18(19)20/h5-11H,4H2,1-3H3
InChIKeyBHQWYQZEWPTUPQ-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.83
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-N-ethyl-4-nitrobenzenesulfonamide

N-(2,4-dimethoxyphenyl)-N-ethyl-4-nitrobenzenesulfonamide (PubChem CID 100526233) has the molecular formula C16H18N2O6S and a molecular weight of 366.40 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-N-ethyl-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-N-ethyl-4-nitrobenzenesulfonamide
PubChem CID100526233
Molecular FormulaC16H18N2O6S
Molecular Weight366.40 g/mol
Exact Mass366.09
IUPAC NameN-(2,4-dimethoxyphenyl)-N-ethyl-4-nitrobenzenesulfonamide
SMILESCCN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H18N2O6S/c1-4-17(15-10-7-13(23-2)11-16(15)24-3)25(21,22)14-8-5-12(6-9-14)18(19)20/h5-11H,4H2,1-3H3
InChIKeyBHQWYQZEWPTUPQ-UHFFFAOYSA-N
XLogP2.83
TPSA98.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-ethyl-N-(3-methoxyphenyl)-4-nitrobenzenesulfonamide
CID 100525748
N-ethyl-N-(2-methyl-5-nitrophenyl)-4-nitrobenzenesulfonamide
CID 100528608
N-[4-[ethyl-(2-methoxy-5-nitrophenyl)sulfamoyl]phenyl]acetamide
CID 100500433
N-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-4-nitrobenzenesulfonamide
CID 46022697
N-(4-chlorophenyl)-N-ethyl-4-nitrobenzenesulfonamide
CID 86258856
N-(3,5-dimethylphenyl)-N-ethyl-4-nitrobenzenesulfonamide
CID 94622914
(4-nitrophenyl) N,N-bis[(2,4-dimethoxyphenyl)methyl]sulfamate
CID 66574321
2-(4-methoxy-N-(4-nitrophenyl)sulfonylanilino)acetic acid
CID 100525847
N-ethyl-4-nitro-N-phenylbenzenesulfonamide
CID 779735
1,4-dimethoxy-2-(4-nitrophenoxy)benzene
CID 58929090
N-ethyl-N-(2-methoxyphenyl)naphthalene-2-sulfonamide
CID 100532213
ethyl 2-(2-methoxy-5-methyl-N-(4-nitrophenyl)sulfonylanilino)acetate
CID 100527321

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-N-ethyl-4-nitrobenzenesulfonamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-N-ethyl-4-nitrobenzenesulfonamide (CID 100526233) is N-(2,4-dimethoxyphenyl)-N-ethyl-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-N-ethyl-4-nitrobenzenesulfonamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-N-ethyl-4-nitrobenzenesulfonamide is CCN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-N-ethyl-4-nitrobenzenesulfonamide?
The InChIKey is BHQWYQZEWPTUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O6S/c1-4-17(15-10-7-13(23-2)11-16(15)24-3)25(21,22)14-8-5-12(6-9-14)18(19)20/h5-11H,4H2,1-3H3.
What are the key properties of N-(2,4-dimethoxyphenyl)-N-ethyl-4-nitrobenzenesulfonamide?
N-(2,4-dimethoxyphenyl)-N-ethyl-4-nitrobenzenesulfonamide has a molecular weight of 366.40 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-N-ethyl-4-nitrobenzenesulfonamide is sourced from PubChem (CID 100526233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).