N-(2-ethoxyphenyl)-N-methyl-2-nitrobenzenesulfonamide

C15H16N2O5S — CID 99717909

IUPACN-(2-ethoxyphenyl)-N-methyl-2-nitrobenzenesulfonamide
SMILESCCOc1ccccc1N(C)S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H16N2O5S/c1-3-22-14-10-6-4-8-12(14)16(2)23(20,21)15-11-7-5-9-13(15)17(18)19/h4-11H,3H2,1-2H3
InChIKeyNUSYPYLUGZZZQF-UHFFFAOYSA-N
MW336.37 g/mol
LogP2.82
Rot. Bonds6

About N-(2-ethoxyphenyl)-N-methyl-2-nitrobenzenesulfonamide

N-(2-ethoxyphenyl)-N-methyl-2-nitrobenzenesulfonamide (PubChem CID 99717909) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-N-methyl-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-N-methyl-2-nitrobenzenesulfonamide
PubChem CID99717909
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC NameN-(2-ethoxyphenyl)-N-methyl-2-nitrobenzenesulfonamide
SMILESCCOc1ccccc1N(C)S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H16N2O5S/c1-3-22-14-10-6-4-8-12(14)16(2)23(20,21)15-11-7-5-9-13(15)17(18)19/h4-11H,3H2,1-2H3
InChIKeyNUSYPYLUGZZZQF-UHFFFAOYSA-N
XLogP2.82
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.82
H-Bond Donors ≤ 50
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-chloro-3-pyridinyl)-N-methyl-2-nitrobenzenesulfonamide
CID 11652789
N-methyl-N-[2-[methyl-(2-nitrophenyl)sulfonylamino]phenyl]carbamoyl chloride
CID 89058737
N-methyl-2-nitro-N-quinolin-8-ylbenzenesulfonamide
CID 123578429
bicyclo[2.2.0]hexa-1,3,5-triene;1-ethoxy-2-nitrobenzene
CID 175518367
N-[(2R)-butan-2-yl]-N-methyl-2-nitrobenzenesulfonamide
CID 11022024
N-methyl-2-nitro-N-propylbenzenesulfonamide
CID 86867161
2-(2-methoxy-N-(2-nitrophenyl)sulfonylanilino)acetic acid
CID 50891057
N,N-bis[(2S)-butan-2-yl]-2-nitrobenzenesulfonamide
CID 845097
N,N-di(butan-2-yl)-2-nitrobenzenesulfonamide
CID 2933512
1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-2-nitrobenzene
CID 2283926
N-(2-methoxyethyl)-N-methyl-2-nitrobenzenesulfonamide
CID 47306069
1-ethylsulfonyl-2-nitrobenzene
CID 12646354

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-N-methyl-2-nitrobenzenesulfonamide?
The IUPAC name of N-(2-ethoxyphenyl)-N-methyl-2-nitrobenzenesulfonamide (CID 99717909) is N-(2-ethoxyphenyl)-N-methyl-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-N-methyl-2-nitrobenzenesulfonamide?
The canonical SMILES for N-(2-ethoxyphenyl)-N-methyl-2-nitrobenzenesulfonamide is CCOc1ccccc1N(C)S(=O)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2-ethoxyphenyl)-N-methyl-2-nitrobenzenesulfonamide?
The InChIKey is NUSYPYLUGZZZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S/c1-3-22-14-10-6-4-8-12(14)16(2)23(20,21)15-11-7-5-9-13(15)17(18)19/h4-11H,3H2,1-2H3.
What are the key properties of N-(2-ethoxyphenyl)-N-methyl-2-nitrobenzenesulfonamide?
N-(2-ethoxyphenyl)-N-methyl-2-nitrobenzenesulfonamide has a molecular weight of 336.37 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-N-methyl-2-nitrobenzenesulfonamide is sourced from PubChem (CID 99717909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).