2-nitro-N-(2-phenoxyphenyl)benzenesulfonamide

C18H14N2O5S — CID 4142655

IUPAC2-nitro-N-(2-phenoxyphenyl)benzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C18H14N2O5S/c21-20(22)16-11-5-7-13-18(16)26(23,24)19-15-10-4-6-12-17(15)25-14-8-2-1-3-9-14/h1-13,19H
InChIKeyRYBGJIIDADXNQS-UHFFFAOYSA-N
MW370.39 g/mol
LogP4.19
Rot. Bonds6

About 2-nitro-N-(2-phenoxyphenyl)benzenesulfonamide

2-nitro-N-(2-phenoxyphenyl)benzenesulfonamide (PubChem CID 4142655) has the molecular formula C18H14N2O5S and a molecular weight of 370.39 g/mol. Its IUPAC name is 2-nitro-N-(2-phenoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-nitro-N-(2-phenoxyphenyl)benzenesulfonamide
PubChem CID4142655
Molecular FormulaC18H14N2O5S
Molecular Weight370.39 g/mol
Exact Mass370.06
IUPAC Name2-nitro-N-(2-phenoxyphenyl)benzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C18H14N2O5S/c21-20(22)16-11-5-7-13-18(16)26(23,24)19-15-10-4-6-12-17(15)25-14-8-2-1-3-9-14/h1-13,19H
InChIKeyRYBGJIIDADXNQS-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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Related Compounds

2-nitro-N-(2-nitrophenyl)benzenesulfonamide
CID 2827773
4-hydroxy-3-nitro-N-(2-phenoxyphenyl)benzenesulfonamide
CID 31579159
4-methoxy-3-nitro-N-(2-phenoxyphenyl)benzenesulfonamide
CID 4801341
2-cyano-N-(2-phenoxyphenyl)benzenesulfonamide
CID 26980043
N-[2-(methanesulfonamido)phenyl]-2-nitrobenzenesulfonamide
CID 39837774
N-(2-methylphenyl)-2-nitrobenzenesulfonamide
CID 786523
N-(2-formylphenyl)-2-nitrobenzenesulfonamide
CID 86621161
N-naphthalen-1-yl-2-nitrobenzenesulfonamide
CID 681787
N-(4-fluoro-2-iodophenyl)-2-nitrobenzenesulfonamide
CID 79758552
3-nitro-4-(2-phenoxyanilino)benzenesulfonamide
CID 22730653
2-[(2-nitrophenyl)sulfonylamino]benzamide
CID 819659
N-(3-amino-2-methylphenyl)-2-nitrobenzenesulfonamide
CID 43605074

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-(2-phenoxyphenyl)benzenesulfonamide?
The IUPAC name of 2-nitro-N-(2-phenoxyphenyl)benzenesulfonamide (CID 4142655) is 2-nitro-N-(2-phenoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2-nitro-N-(2-phenoxyphenyl)benzenesulfonamide?
The canonical SMILES for 2-nitro-N-(2-phenoxyphenyl)benzenesulfonamide is O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 2-nitro-N-(2-phenoxyphenyl)benzenesulfonamide?
The InChIKey is RYBGJIIDADXNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O5S/c21-20(22)16-11-5-7-13-18(16)26(23,24)19-15-10-4-6-12-17(15)25-14-8-2-1-3-9-14/h1-13,19H.
What are the key properties of 2-nitro-N-(2-phenoxyphenyl)benzenesulfonamide?
2-nitro-N-(2-phenoxyphenyl)benzenesulfonamide 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 2-nitro-N-(2-phenoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 4142655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).