N-(4-ethoxy-2-nitrophenyl)methanesulfonamide

C9H12N2O5S — CID 60640247

IUPACN-(4-ethoxy-2-nitrophenyl)methanesulfonamide
SMILESCCOc1ccc(NS(C)(=O)=O)c([N+](=O)[O-])c1
InChIInChI=1S/C9H12N2O5S/c1-3-16-7-4-5-8(10-17(2,14)15)9(6-7)11(12)13/h4-6,10H,3H2,1-2H3
InChIKeyIIAGYWVLPBJUOF-UHFFFAOYSA-N
MW260.27 g/mol
LogP1.37
Rot. Bonds5

About N-(4-ethoxy-2-nitrophenyl)methanesulfonamide

N-(4-ethoxy-2-nitrophenyl)methanesulfonamide (PubChem CID 60640247) has the molecular formula C9H12N2O5S and a molecular weight of 260.27 g/mol. Its IUPAC name is N-(4-ethoxy-2-nitrophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-ethoxy-2-nitrophenyl)methanesulfonamide
PubChem CID60640247
Molecular FormulaC9H12N2O5S
Molecular Weight260.27 g/mol
Exact Mass260.05
IUPAC NameN-(4-ethoxy-2-nitrophenyl)methanesulfonamide
SMILESCCOc1ccc(NS(C)(=O)=O)c([N+](=O)[O-])c1
InChIInChI=1S/C9H12N2O5S/c1-3-16-7-4-5-8(10-17(2,14)15)9(6-7)11(12)13/h4-6,10H,3H2,1-2H3
InChIKeyIIAGYWVLPBJUOF-UHFFFAOYSA-N
XLogP1.37
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 51.37
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-(4-ethoxy-2-nitrophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 75394401
3-chloro-N-(4-ethoxy-2-nitrophenyl)-2-methylpropane-1-sulfonamide
CID 79557203
N-(2,2-dimethylpropyl)-4-ethoxy-2-nitroaniline
CID 61323922
ethyl N-(4-ethoxy-2-nitrophenyl)carbamate
CID 4110254
N,N'-bis(4-ethoxy-2-nitrophenyl)hexanediamide
CID 5235455
4-ethoxy-2-nitrobenzenesulfonyl chloride
CID 12514471
N-(4-ethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide
CID 5060247
N-(4-ethoxy-2-nitrophenyl)pentanamide
CID 4295410
3-chloro-N-(4-ethoxy-2-nitrophenyl)propanamide
CID 4644339
2-(4-ethoxy-2-nitroanilino)ethene-1,1,2-tricarbonitrile
CID 168609319
N-(4-ethoxy-2-nitrophenyl)-3,4-dimethylbenzamide
CID 3375045
4-ethoxy-N,N-dimethyl-2-nitrobenzenesulfonamide
CID 117059190

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-2-nitrophenyl)methanesulfonamide?
The IUPAC name of N-(4-ethoxy-2-nitrophenyl)methanesulfonamide (CID 60640247) is N-(4-ethoxy-2-nitrophenyl)methanesulfonamide.
What is the SMILES notation for N-(4-ethoxy-2-nitrophenyl)methanesulfonamide?
The canonical SMILES for N-(4-ethoxy-2-nitrophenyl)methanesulfonamide is CCOc1ccc(NS(C)(=O)=O)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-ethoxy-2-nitrophenyl)methanesulfonamide?
The InChIKey is IIAGYWVLPBJUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O5S/c1-3-16-7-4-5-8(10-17(2,14)15)9(6-7)11(12)13/h4-6,10H,3H2,1-2H3.
What are the key properties of N-(4-ethoxy-2-nitrophenyl)methanesulfonamide?
N-(4-ethoxy-2-nitrophenyl)methanesulfonamide has a molecular weight of 260.27 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-2-nitrophenyl)methanesulfonamide is sourced from PubChem (CID 60640247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).