4-(4-nitrophenoxy)-N-phenylbenzenesulfonamide

C18H14N2O5S — CID 1116087

IUPAC4-(4-nitrophenoxy)-N-phenylbenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C18H14N2O5S/c21-20(22)15-6-8-16(9-7-15)25-17-10-12-18(13-11-17)26(23,24)19-14-4-2-1-3-5-14/h1-13,19H
InChIKeyLNFUKDKMYZJEIT-UHFFFAOYSA-N
MW370.39 g/mol
LogP4.19
Rot. Bonds6

About 4-(4-nitrophenoxy)-N-phenylbenzenesulfonamide

4-(4-nitrophenoxy)-N-phenylbenzenesulfonamide (PubChem CID 1116087) has the molecular formula C18H14N2O5S and a molecular weight of 370.39 g/mol. Its IUPAC name is 4-(4-nitrophenoxy)-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-(4-nitrophenoxy)-N-phenylbenzenesulfonamide
PubChem CID1116087
Molecular FormulaC18H14N2O5S
Molecular Weight370.39 g/mol
Exact Mass370.06
IUPAC Name4-(4-nitrophenoxy)-N-phenylbenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C18H14N2O5S/c21-20(22)15-6-8-16(9-7-15)25-17-10-12-18(13-11-17)26(23,24)19-14-4-2-1-3-5-14/h1-13,19H
InChIKeyLNFUKDKMYZJEIT-UHFFFAOYSA-N
XLogP4.19
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 54.19
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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Frequently Asked Questions

What is the IUPAC name of 4-(4-nitrophenoxy)-N-phenylbenzenesulfonamide?
The IUPAC name of 4-(4-nitrophenoxy)-N-phenylbenzenesulfonamide (CID 1116087) is 4-(4-nitrophenoxy)-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-(4-nitrophenoxy)-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-(4-nitrophenoxy)-N-phenylbenzenesulfonamide is O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1.
What is the InChIKey of 4-(4-nitrophenoxy)-N-phenylbenzenesulfonamide?
The InChIKey is LNFUKDKMYZJEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O5S/c21-20(22)15-6-8-16(9-7-15)25-17-10-12-18(13-11-17)26(23,24)19-14-4-2-1-3-5-14/h1-13,19H.
What are the key properties of 4-(4-nitrophenoxy)-N-phenylbenzenesulfonamide?
4-(4-nitrophenoxy)-N-phenylbenzenesulfonamide has a molecular weight of 370.39 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitrophenoxy)-N-phenylbenzenesulfonamide is sourced from PubChem (CID 1116087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).