N-ethyl-4-(4-nitrophenoxy)benzenesulfonamide

C14H14N2O5S — CID 44531247

IUPACN-ethyl-4-(4-nitrophenoxy)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H14N2O5S/c1-2-15-22(19,20)14-9-7-13(8-10-14)21-12-5-3-11(4-6-12)16(17)18/h3-10,15H,2H2,1H3
InChIKeyLGXZZNRUIXBCQO-UHFFFAOYSA-N
MW322.34 g/mol
LogP2.69
Rot. Bonds6

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

N-ethyl-4-(4-nitrophenoxy)benzenesulfonamide (PubChem CID 44531247) has the molecular formula C14H14N2O5S and a molecular weight of 322.34 g/mol. Its IUPAC name is N-ethyl-4-(4-nitrophenoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-(4-nitrophenoxy)benzenesulfonamide
PubChem CID44531247
Molecular FormulaC14H14N2O5S
Molecular Weight322.34 g/mol
Exact Mass322.06
IUPAC NameN-ethyl-4-(4-nitrophenoxy)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H14N2O5S/c1-2-15-22(19,20)14-9-7-13(8-10-14)21-12-5-3-11(4-6-12)16(17)18/h3-10,15H,2H2,1H3
InChIKeyLGXZZNRUIXBCQO-UHFFFAOYSA-N
XLogP2.69
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 52.69
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

4-methoxy-N-phenylbenzenesulfonamide
CID 835273
4-(4-Nitrophenoxy)benzenamine
CID 80251
N-(4-Methoxyphenyl)benzenesulfonamide
CID 345790
4-amino-N-(4-methoxyphenyl)benzene-1-sulfonamide
CID 578975
4-{[4-(4-Nitrophenoxy)phenyl]sulfonyl}morpholine
CID 1097192
4-(4-nitrophenoxy)-N-phenylbenzenesulfonamide
CID 1116087
4-amino-N-(4-ethoxyphenyl)benzenesulfonamide
CID 788027
4-methoxy-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 2945716
N-(4-ethoxyphenyl)-4-fluorobenzenesulfonamide
CID 341400
3-nitro-N-(4-phenoxyphenyl)benzenesulfonamide
CID 2876244
1-(Methylsulfonyl)-4-(4-nitrophenoxy)benzene
CID 514874
N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 798871

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-nitrophenoxy)benzenesulfonamide?
The IUPAC name of N-ethyl-4-(4-nitrophenoxy)benzenesulfonamide (CID 44531247) is N-ethyl-4-(4-nitrophenoxy)benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-(4-nitrophenoxy)benzenesulfonamide?
The canonical SMILES for N-ethyl-4-(4-nitrophenoxy)benzenesulfonamide is CCNS(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-ethyl-4-(4-nitrophenoxy)benzenesulfonamide?
The InChIKey is LGXZZNRUIXBCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5S/c1-2-15-22(19,20)14-9-7-13(8-10-14)21-12-5-3-11(4-6-12)16(17)18/h3-10,15H,2H2,1H3.
What are the key properties of N-ethyl-4-(4-nitrophenoxy)benzenesulfonamide?
N-ethyl-4-(4-nitrophenoxy)benzenesulfonamide has a molecular weight of 322.34 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-nitrophenoxy)benzenesulfonamide is sourced from PubChem (CID 44531247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).