N-(2-nitrophenyl)sulfanylpyridin-2-amine

C11H9N3O2S — CID 828163

IUPACN-(2-nitrophenyl)sulfanylpyridin-2-amine
SMILESO=[N+]([O-])c1ccccc1SNc1ccccn1
InChIInChI=1S/C11H9N3O2S/c15-14(16)9-5-1-2-6-10(9)17-13-11-7-3-4-8-12-11/h1-8H,(H,12,13)
InChIKeyXKWXOKRHPNAZFU-UHFFFAOYSA-N
MW247.28 g/mol
LogP3.11
Rot. Bonds4

About N-(2-nitrophenyl)sulfanylpyridin-2-amine

N-(2-nitrophenyl)sulfanylpyridin-2-amine (PubChem CID 828163) has the molecular formula C11H9N3O2S and a molecular weight of 247.28 g/mol. Its IUPAC name is N-(2-nitrophenyl)sulfanylpyridin-2-amine.

Molecular Properties

Compound NameN-(2-nitrophenyl)sulfanylpyridin-2-amine
PubChem CID828163
Molecular FormulaC11H9N3O2S
Molecular Weight247.28 g/mol
Exact Mass247.04
IUPAC NameN-(2-nitrophenyl)sulfanylpyridin-2-amine
SMILESO=[N+]([O-])c1ccccc1SNc1ccccn1
InChIInChI=1S/C11H9N3O2S/c15-14(16)9-5-1-2-6-10(9)17-13-11-7-3-4-8-12-11/h1-8H,(H,12,13)
InChIKeyXKWXOKRHPNAZFU-UHFFFAOYSA-N
XLogP3.11
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 53.11
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'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Sulfapyridine
CID 5336
5-Nitro-N-phenylpyridin-2-amine
CID 81268
Sulfapyridine Sodium
CID 23667654
2-nitro-N-(pyridin-3-yl)benzenesulfonamide
CID 2164527
4-nitro-N-(pyridin-2-yl)benzenesulfonamide
CID 611709
Benzenesulfonamide, n-2-pyridinyl-
CID 261514
2-{Benzyl[(2-nitrophenyl)thio]amino}pyridine
CID 800721
4-[(3-Nitropyridin-2-yl)amino]benzenesulfonamide
CID 2842433
2-Nitro-N-pyrimidin-2-yl-benzenesulfonamide
CID 840010
N-(5-methylpyridin-2-yl)-3-nitrobenzenesulfonamide
CID 3325564
2-Amino-5-nitro-3-(phenylsulfonyl)pyridine
CID 4532399
1-(2-Nitrophenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 701155

Frequently Asked Questions

What is the IUPAC name of N-(2-nitrophenyl)sulfanylpyridin-2-amine?
The IUPAC name of N-(2-nitrophenyl)sulfanylpyridin-2-amine (CID 828163) is N-(2-nitrophenyl)sulfanylpyridin-2-amine.
What is the SMILES notation for N-(2-nitrophenyl)sulfanylpyridin-2-amine?
The canonical SMILES for N-(2-nitrophenyl)sulfanylpyridin-2-amine is O=[N+]([O-])c1ccccc1SNc1ccccn1.
What is the InChIKey of N-(2-nitrophenyl)sulfanylpyridin-2-amine?
The InChIKey is XKWXOKRHPNAZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2S/c15-14(16)9-5-1-2-6-10(9)17-13-11-7-3-4-8-12-11/h1-8H,(H,12,13).
What are the key properties of N-(2-nitrophenyl)sulfanylpyridin-2-amine?
N-(2-nitrophenyl)sulfanylpyridin-2-amine has a molecular weight of 247.28 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenyl)sulfanylpyridin-2-amine is sourced from PubChem (CID 828163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).