2-(benzenesulfonyl)-1-pyridin-3-ylguanidine

C12H12N4O2S — CID 18770578

IUPAC2-(benzenesulfonyl)-1-pyridin-3-ylguanidine
SMILESN/C(=N\S(=O)(=O)c1ccccc1)Nc1cccnc1
InChIInChI=1S/C12H12N4O2S/c13-12(15-10-5-4-8-14-9-10)16-19(17,18)11-6-2-1-3-7-11/h1-9H,(H3,13,15,16)
InChIKeyNUNAMPFZBNNLFQ-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.20
Rot. Bonds3

About 2-(benzenesulfonyl)-1-pyridin-3-ylguanidine

2-(benzenesulfonyl)-1-pyridin-3-ylguanidine (PubChem CID 18770578) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1-pyridin-3-ylguanidine.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1-pyridin-3-ylguanidine
PubChem CID18770578
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC Name2-(benzenesulfonyl)-1-pyridin-3-ylguanidine
SMILESN/C(=N\S(=O)(=O)c1ccccc1)Nc1cccnc1
InChIInChI=1S/C12H12N4O2S/c13-12(15-10-5-4-8-14-9-10)16-19(17,18)11-6-2-1-3-7-11/h1-9H,(H3,13,15,16)
InChIKeyNUNAMPFZBNNLFQ-UHFFFAOYSA-N
XLogP1.20
TPSA97.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-pyridin-3-yl-2-(trifluoromethylsulfonyl)guanidine
CID 18770585
nitric acid;2-nitro-1-pyridin-3-ylguanidine
CID 173142805
pyridin-3-ylthiourea
CID 2760515
boric acid;pyridin-3-ylurea
CID 175497836
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
N-pyridin-3-yl-3-sulfamoylbenzamide
CID 164627954
benzenesulfonic acid;pyridine-3-carboxamide
CID 157114692
N'-(benzenesulfonyl)ethanimidamide
CID 3716690
1-anilino-3-pyridin-3-ylurea
CID 47127655
1-(N'-tert-butylcarbamimidoyl)-3-pyridin-3-ylurea
CID 70456930
2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111599985
phenyl N'-(benzenesulfonyl)carbamimidate
CID 70117116

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1-pyridin-3-ylguanidine?
The IUPAC name of 2-(benzenesulfonyl)-1-pyridin-3-ylguanidine (CID 18770578) is 2-(benzenesulfonyl)-1-pyridin-3-ylguanidine.
What is the SMILES notation for 2-(benzenesulfonyl)-1-pyridin-3-ylguanidine?
The canonical SMILES for 2-(benzenesulfonyl)-1-pyridin-3-ylguanidine is N/C(=N\S(=O)(=O)c1ccccc1)Nc1cccnc1.
What is the InChIKey of 2-(benzenesulfonyl)-1-pyridin-3-ylguanidine?
The InChIKey is NUNAMPFZBNNLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c13-12(15-10-5-4-8-14-9-10)16-19(17,18)11-6-2-1-3-7-11/h1-9H,(H3,13,15,16).
What are the key properties of 2-(benzenesulfonyl)-1-pyridin-3-ylguanidine?
2-(benzenesulfonyl)-1-pyridin-3-ylguanidine has a molecular weight of 276.32 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1-pyridin-3-ylguanidine is sourced from PubChem (CID 18770578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).