N-ethoxy-3,4-dimethyl-5-nitrobenzenesulfonamide

C10H14N2O5S — CID 60700382

IUPACN-ethoxy-3,4-dimethyl-5-nitrobenzenesulfonamide
SMILESCCONS(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1
InChIInChI=1S/C10H14N2O5S/c1-4-17-11-18(15,16)9-5-7(2)8(3)10(6-9)12(13)14/h5-6,11H,4H2,1-3H3
InChIKeyRRYSZUBPODAVLM-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.44
Rot. Bonds5

About N-ethoxy-3,4-dimethyl-5-nitrobenzenesulfonamide

N-ethoxy-3,4-dimethyl-5-nitrobenzenesulfonamide (PubChem CID 60700382) has the molecular formula C10H14N2O5S and a molecular weight of 274.30 g/mol. Its IUPAC name is N-ethoxy-3,4-dimethyl-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-ethoxy-3,4-dimethyl-5-nitrobenzenesulfonamide
PubChem CID60700382
Molecular FormulaC10H14N2O5S
Molecular Weight274.30 g/mol
Exact Mass274.06
IUPAC NameN-ethoxy-3,4-dimethyl-5-nitrobenzenesulfonamide
SMILESCCONS(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1
InChIInChI=1S/C10H14N2O5S/c1-4-17-11-18(15,16)9-5-7(2)8(3)10(6-9)12(13)14/h5-6,11H,4H2,1-3H3
InChIKeyRRYSZUBPODAVLM-UHFFFAOYSA-N
XLogP1.44
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.44
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

2-[(3,4-dimethyl-5-nitrophenyl)sulfonylamino]oxyacetamide
CID 115992099
N-(2-methoxyethyl)-3,4-dimethyl-5-nitrobenzenesulfonamide
CID 7574341
3,4-dimethyl-5-nitro-N-prop-2-ynylbenzenesulfonamide
CID 60681266
3,4-dimethyl-N-[2-(methylamino)ethyl]-5-nitrobenzenesulfonamide
CID 62659310
3,4-dimethyl-N-(2-methylprop-2-enyl)-5-nitrobenzenesulfonamide
CID 114616487
N-(3-iodopropyl)-3,4-dimethyl-5-nitrobenzenesulfonamide
CID 114189123
4-methyl-N-(2-methylpropoxy)-3-nitrobenzenesulfonamide
CID 82715574
4-fluoro-3-methyl-5-nitro-N-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 107856720
2-[(3-chloro-4-methyl-5-nitrophenyl)sulfonylamino]oxyacetic acid
CID 60661220
3-[(3,4-dimethyl-5-nitrophenyl)sulfonylamino]-2-methylpropanoic acid
CID 62674294
3-chloro-N-(2-methoxyethoxy)-4-methyl-5-nitrobenzenesulfonamide
CID 82715055
N-hex-1-yn-3-yl-3,4-dimethyl-5-nitrobenzenesulfonamide
CID 106229038

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-3,4-dimethyl-5-nitrobenzenesulfonamide?
The IUPAC name of N-ethoxy-3,4-dimethyl-5-nitrobenzenesulfonamide (CID 60700382) is N-ethoxy-3,4-dimethyl-5-nitrobenzenesulfonamide.
What is the SMILES notation for N-ethoxy-3,4-dimethyl-5-nitrobenzenesulfonamide?
The canonical SMILES for N-ethoxy-3,4-dimethyl-5-nitrobenzenesulfonamide is CCONS(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1.
What is the InChIKey of N-ethoxy-3,4-dimethyl-5-nitrobenzenesulfonamide?
The InChIKey is RRYSZUBPODAVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S/c1-4-17-11-18(15,16)9-5-7(2)8(3)10(6-9)12(13)14/h5-6,11H,4H2,1-3H3.
What are the key properties of N-ethoxy-3,4-dimethyl-5-nitrobenzenesulfonamide?
N-ethoxy-3,4-dimethyl-5-nitrobenzenesulfonamide has a molecular weight of 274.30 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-3,4-dimethyl-5-nitrobenzenesulfonamide is sourced from PubChem (CID 60700382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).