N-[4-(4-nitrophenyl)sulfonylphenyl]pyridin-4-amine

C17H13N3O4S — CID 137376791

IUPACN-[4-(4-nitrophenyl)sulfonylphenyl]pyridin-4-amine
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)c2ccc(Nc3ccncc3)cc2)cc1
InChIInChI=1S/C17H13N3O4S/c21-20(22)15-3-7-17(8-4-15)25(23,24)16-5-1-13(2-6-16)19-14-9-11-18-12-10-14/h1-12H,(H,18,19)
InChIKeyBDDQVKCYPYZLDL-UHFFFAOYSA-N
MW355.38 g/mol
LogP3.57
Rot. Bonds5

About N-[4-(4-nitrophenyl)sulfonylphenyl]pyridin-4-amine

N-[4-(4-nitrophenyl)sulfonylphenyl]pyridin-4-amine (PubChem CID 137376791) has the molecular formula C17H13N3O4S and a molecular weight of 355.38 g/mol. Its IUPAC name is N-[4-(4-nitrophenyl)sulfonylphenyl]pyridin-4-amine.

Molecular Properties

Compound NameN-[4-(4-nitrophenyl)sulfonylphenyl]pyridin-4-amine
PubChem CID137376791
Molecular FormulaC17H13N3O4S
Molecular Weight355.38 g/mol
Exact Mass355.06
IUPAC NameN-[4-(4-nitrophenyl)sulfonylphenyl]pyridin-4-amine
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)c2ccc(Nc3ccncc3)cc2)cc1
InChIInChI=1S/C17H13N3O4S/c21-20(22)15-3-7-17(8-4-15)25(23,24)16-5-1-13(2-6-16)19-14-9-11-18-12-10-14/h1-12H,(H,18,19)
InChIKeyBDDQVKCYPYZLDL-UHFFFAOYSA-N
XLogP3.57
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N-[4-(4-nitrophenyl)sulfonylphenyl]pyridin-4-amine?
The IUPAC name of N-[4-(4-nitrophenyl)sulfonylphenyl]pyridin-4-amine (CID 137376791) is N-[4-(4-nitrophenyl)sulfonylphenyl]pyridin-4-amine.
What is the SMILES notation for N-[4-(4-nitrophenyl)sulfonylphenyl]pyridin-4-amine?
The canonical SMILES for N-[4-(4-nitrophenyl)sulfonylphenyl]pyridin-4-amine is O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc(Nc3ccncc3)cc2)cc1.
What is the InChIKey of N-[4-(4-nitrophenyl)sulfonylphenyl]pyridin-4-amine?
The InChIKey is BDDQVKCYPYZLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O4S/c21-20(22)15-3-7-17(8-4-15)25(23,24)16-5-1-13(2-6-16)19-14-9-11-18-12-10-14/h1-12H,(H,18,19).
What are the key properties of N-[4-(4-nitrophenyl)sulfonylphenyl]pyridin-4-amine?
N-[4-(4-nitrophenyl)sulfonylphenyl]pyridin-4-amine has a molecular weight of 355.38 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-nitrophenyl)sulfonylphenyl]pyridin-4-amine is sourced from PubChem (CID 137376791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).