3-nitro-N-(5-phenyl-2-pyridinyl)benzenesulfonamide

C17H13N3O4S — CID 110634701

IUPAC3-nitro-N-(5-phenyl-2-pyridinyl)benzenesulfonamide
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cn2)c1
InChIInChI=1S/C17H13N3O4S/c21-20(22)15-7-4-8-16(11-15)25(23,24)19-17-10-9-14(12-18-17)13-5-2-1-3-6-13/h1-12H,(H,18,19)
InChIKeyOLGGLZXKEIDQHZ-UHFFFAOYSA-N
MW355.38 g/mol
LogP3.46
Rot. Bonds5

About 3-nitro-N-(5-phenyl-2-pyridinyl)benzenesulfonamide

3-nitro-N-(5-phenyl-2-pyridinyl)benzenesulfonamide (PubChem CID 110634701) has the molecular formula C17H13N3O4S and a molecular weight of 355.38 g/mol. Its IUPAC name is 3-nitro-N-(5-phenyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3-nitro-N-(5-phenyl-2-pyridinyl)benzenesulfonamide
PubChem CID110634701
Molecular FormulaC17H13N3O4S
Molecular Weight355.38 g/mol
Exact Mass355.06
IUPAC Name3-nitro-N-(5-phenyl-2-pyridinyl)benzenesulfonamide
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cn2)c1
InChIInChI=1S/C17H13N3O4S/c21-20(22)15-7-4-8-16(11-15)25(23,24)19-17-10-9-14(12-18-17)13-5-2-1-3-6-13/h1-12H,(H,18,19)
InChIKeyOLGGLZXKEIDQHZ-UHFFFAOYSA-N
XLogP3.46
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 53.46
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-[(3-nitrophenyl)sulfonylamino]-N-(5-phenyl-2-pyridinyl)benzamide
CID 55951039
3,4-dimethoxy-N-(5-phenyl-2-pyridinyl)benzenesulfonamide
CID 24995120
4-fluoro-3-methyl-N-(5-phenyl-2-pyridinyl)benzenesulfonamide
CID 110634665
N'-(benzenesulfonyl)-3-nitrobenzenesulfonohydrazide
CID 100974954
N-(1-methyl-5-phenylpyrazol-4-yl)-3-nitrobenzenesulfonamide
CID 110664831
N-[tert-butyl(diphenyl)silyl]-3-nitrobenzenesulfonamide
CID 163394106
3-nitro-N-[4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide
CID 99842077
3-nitro-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 58874615
N-(4-methylphenyl)-3-nitrobenzenesulfonamide;hydrate
CID 90481492
N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 2834884
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
3-nitro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286278

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-(5-phenyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 3-nitro-N-(5-phenyl-2-pyridinyl)benzenesulfonamide (CID 110634701) is 3-nitro-N-(5-phenyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3-nitro-N-(5-phenyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3-nitro-N-(5-phenyl-2-pyridinyl)benzenesulfonamide is O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cn2)c1.
What is the InChIKey of 3-nitro-N-(5-phenyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is OLGGLZXKEIDQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O4S/c21-20(22)15-7-4-8-16(11-15)25(23,24)19-17-10-9-14(12-18-17)13-5-2-1-3-6-13/h1-12H,(H,18,19).
What are the key properties of 3-nitro-N-(5-phenyl-2-pyridinyl)benzenesulfonamide?
3-nitro-N-(5-phenyl-2-pyridinyl)benzenesulfonamide has a molecular weight of 355.38 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-(5-phenyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 110634701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).