4-ethyl-N-(4-nitrophenyl)benzenesulfonamide

C14H14N2O4S — CID 22774107

IUPAC4-ethyl-N-(4-nitrophenyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H14N2O4S/c1-2-11-3-9-14(10-4-11)21(19,20)15-12-5-7-13(8-6-12)16(17)18/h3-10,15H,2H2,1H3
InChIKeyQSTKNRINEMAAEN-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.96
Rot. Bonds5

About 4-ethyl-N-(4-nitrophenyl)benzenesulfonamide

4-ethyl-N-(4-nitrophenyl)benzenesulfonamide (PubChem CID 22774107) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 4-ethyl-N-(4-nitrophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-(4-nitrophenyl)benzenesulfonamide
PubChem CID22774107
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name4-ethyl-N-(4-nitrophenyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H14N2O4S/c1-2-11-3-9-14(10-4-11)21(19,20)15-12-5-7-13(8-6-12)16(17)18/h3-10,15H,2H2,1H3
InChIKeyQSTKNRINEMAAEN-UHFFFAOYSA-N
XLogP2.96
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-ethyl-N-(4-nitrophenyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 2225731
N-[4-[(2R)-butan-2-yl]phenyl]-4-nitrobenzenesulfonamide
CID 796582
N-butan-2-yl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 3384458
4-ethyl-N-(4-iodophenyl)benzenesulfonamide
CID 1305687
N-butyl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 4294887
N-(4-ethylphenyl)-4-propylbenzenesulfonamide
CID 22773839
4-ethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide
CID 2840601
4-ethyl-N-[4-[4-[(4-ethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide
CID 25047818
azane;1-ethyl-4-nitrobenzene
CID 19043225
N-(2,6-dimethylphenyl)-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 2219506
4-nitro-N-(4-pentoxyphenyl)benzenesulfonamide
CID 19169192
N-(4-nitrophenyl)ethanesulfonamide
CID 521811

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(4-nitrophenyl)benzenesulfonamide?
The IUPAC name of 4-ethyl-N-(4-nitrophenyl)benzenesulfonamide (CID 22774107) is 4-ethyl-N-(4-nitrophenyl)benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-(4-nitrophenyl)benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-(4-nitrophenyl)benzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 4-ethyl-N-(4-nitrophenyl)benzenesulfonamide?
The InChIKey is QSTKNRINEMAAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-2-11-3-9-14(10-4-11)21(19,20)15-12-5-7-13(8-6-12)16(17)18/h3-10,15H,2H2,1H3.
What are the key properties of 4-ethyl-N-(4-nitrophenyl)benzenesulfonamide?
4-ethyl-N-(4-nitrophenyl)benzenesulfonamide has a molecular weight of 306.34 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(4-nitrophenyl)benzenesulfonamide is sourced from PubChem (CID 22774107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).