N-ethyl-4-nitro-N-phenylbenzenesulfonamide

C14H14N2O4S — CID 779735

IUPACN-ethyl-4-nitro-N-phenylbenzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H14N2O4S/c1-2-15(12-6-4-3-5-7-12)21(19,20)14-10-8-13(9-11-14)16(17)18/h3-11H,2H2,1H3
InChIKeyUNCKFYGLTOYWNU-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.81
Rot. Bonds5

About N-ethyl-4-nitro-N-phenylbenzenesulfonamide

N-ethyl-4-nitro-N-phenylbenzenesulfonamide (PubChem CID 779735) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is N-ethyl-4-nitro-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-nitro-N-phenylbenzenesulfonamide
PubChem CID779735
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC NameN-ethyl-4-nitro-N-phenylbenzenesulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H14N2O4S/c1-2-15(12-6-4-3-5-7-12)21(19,20)14-10-8-13(9-11-14)16(17)18/h3-11H,2H2,1H3
InChIKeyUNCKFYGLTOYWNU-UHFFFAOYSA-N
XLogP2.81
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.81
H-Bond Donors ≤ 50
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'}

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Related Compounds

N-(4-chlorophenyl)-N-ethyl-4-nitrobenzenesulfonamide
CID 86258856
N-(3,5-dimethylphenyl)-N-ethyl-4-nitrobenzenesulfonamide
CID 94622914
N-ethyl-N-(3-methoxyphenyl)-4-nitrobenzenesulfonamide
CID 100525748
4-chloro-N-ethyl-3-nitro-N-phenylbenzenesulfonamide
CID 5019418
4-N-ethyl-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-disulfonamide
CID 26951667
ethyl 2-(N-(4-nitrophenyl)sulfonylanilino)acetate
CID 100524720
N-(2,6-dimethylphenyl)-N-ethyl-4-nitrobenzenesulfonamide
CID 100525104
N-(2-bromoethyl)-N-(4-nitrophenyl)benzenesulfonamide
CID 23104465
N-ethyl-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-4-nitrobenzenesulfonamide
CID 86686467
N-[(2S)-3-(dipropylamino)-2-hydroxypropyl]-4-nitro-N-phenylbenzenesulfonamide
CID 2287761
N-ethyl-4-methylsulfanyl-N-(3-nitrophenyl)benzenesulfonamide
CID 100518669
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-4-nitrobenzenesulfonamide
CID 100528191

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-nitro-N-phenylbenzenesulfonamide?
The IUPAC name of N-ethyl-4-nitro-N-phenylbenzenesulfonamide (CID 779735) is N-ethyl-4-nitro-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-4-nitro-N-phenylbenzenesulfonamide?
The canonical SMILES for N-ethyl-4-nitro-N-phenylbenzenesulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-ethyl-4-nitro-N-phenylbenzenesulfonamide?
The InChIKey is UNCKFYGLTOYWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-2-15(12-6-4-3-5-7-12)21(19,20)14-10-8-13(9-11-14)16(17)18/h3-11H,2H2,1H3.
What are the key properties of N-ethyl-4-nitro-N-phenylbenzenesulfonamide?
N-ethyl-4-nitro-N-phenylbenzenesulfonamide has a molecular weight of 306.34 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-nitro-N-phenylbenzenesulfonamide is sourced from PubChem (CID 779735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).