4-ethoxy-N,N-dimethyl-2-nitrobenzenesulfonamide

C10H14N2O5S — CID 117059190

IUPAC4-ethoxy-N,N-dimethyl-2-nitrobenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)C)c([N+](=O)[O-])c1
InChIInChI=1S/C10H14N2O5S/c1-4-17-8-5-6-10(9(7-8)12(13)14)18(15,16)11(2)3/h5-7H,4H2,1-3H3
InChIKeyHENMVFZLWCJYNO-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.24
Rot. Bonds5

About 4-ethoxy-N,N-dimethyl-2-nitrobenzenesulfonamide

4-ethoxy-N,N-dimethyl-2-nitrobenzenesulfonamide (PubChem CID 117059190) has the molecular formula C10H14N2O5S and a molecular weight of 274.30 g/mol. Its IUPAC name is 4-ethoxy-N,N-dimethyl-2-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N,N-dimethyl-2-nitrobenzenesulfonamide
PubChem CID117059190
Molecular FormulaC10H14N2O5S
Molecular Weight274.30 g/mol
Exact Mass274.06
IUPAC Name4-ethoxy-N,N-dimethyl-2-nitrobenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)C)c([N+](=O)[O-])c1
InChIInChI=1S/C10H14N2O5S/c1-4-17-8-5-6-10(9(7-8)12(13)14)18(15,16)11(2)3/h5-7H,4H2,1-3H3
InChIKeyHENMVFZLWCJYNO-UHFFFAOYSA-N
XLogP1.24
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.24
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

4-ethoxy-2-nitrobenzenesulfonyl chloride
CID 12514471
N-(1-hydroxypropan-2-yl)-4-methoxy-N-methyl-2-nitrobenzenesulfonamide
CID 115776367
N-(4-ethoxy-2-nitrophenyl)methanesulfonamide
CID 60640247
N-(2,2-dimethylpropyl)-4-ethoxy-2-nitroaniline
CID 61323922
N-[(4-ethoxyphenyl)methyl]-N-methyl-4-methylsulfonyl-2-nitroaniline
CID 9113320
4-ethoxy-2-nitro-1-phenylbenzene
CID 165358913
4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]-2-nitrobenzenesulfonamide
CID 31070036
N-ethyl-4-methoxy-N-(2-methylprop-2-enyl)-2-nitrobenzenesulfonamide
CID 31066498
4-ethoxy-N-methyl-N-[(2-nitrophenyl)methyl]benzenesulfonamide
CID 34107068
4-ethoxy-2-nitro-1-prop-2-enylbenzene
CID 155580614
1-(4-ethoxy-2-nitrophenyl)-2,5-dimethylpyrrole
CID 69275678
3-chloro-N-(4-ethoxy-2-nitrophenyl)-2-methylpropane-1-sulfonamide
CID 79557203

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N,N-dimethyl-2-nitrobenzenesulfonamide?
The IUPAC name of 4-ethoxy-N,N-dimethyl-2-nitrobenzenesulfonamide (CID 117059190) is 4-ethoxy-N,N-dimethyl-2-nitrobenzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N,N-dimethyl-2-nitrobenzenesulfonamide?
The canonical SMILES for 4-ethoxy-N,N-dimethyl-2-nitrobenzenesulfonamide is CCOc1ccc(S(=O)(=O)N(C)C)c([N+](=O)[O-])c1.
What is the InChIKey of 4-ethoxy-N,N-dimethyl-2-nitrobenzenesulfonamide?
The InChIKey is HENMVFZLWCJYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S/c1-4-17-8-5-6-10(9(7-8)12(13)14)18(15,16)11(2)3/h5-7H,4H2,1-3H3.
What are the key properties of 4-ethoxy-N,N-dimethyl-2-nitrobenzenesulfonamide?
4-ethoxy-N,N-dimethyl-2-nitrobenzenesulfonamide has a molecular weight of 274.30 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N,N-dimethyl-2-nitrobenzenesulfonamide is sourced from PubChem (CID 117059190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).