4-pyridin-3-ylbenzenesulfonamide

C11H10N2O2S — CID 110453853

IUPAC4-pyridin-3-ylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C11H10N2O2S/c12-16(14,15)11-5-3-9(4-6-11)10-2-1-7-13-8-10/h1-8H,(H2,12,14,15)
InChIKeyFGJNMMSBSNRDFJ-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.40
Rot. Bonds2

About 4-pyridin-3-ylbenzenesulfonamide

4-pyridin-3-ylbenzenesulfonamide (PubChem CID 110453853) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 4-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-pyridin-3-ylbenzenesulfonamide
PubChem CID110453853
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name4-pyridin-3-ylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C11H10N2O2S/c12-16(14,15)11-5-3-9(4-6-11)10-2-1-7-13-8-10/h1-8H,(H2,12,14,15)
InChIKeyFGJNMMSBSNRDFJ-UHFFFAOYSA-N
XLogP1.40
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Phenylpyridine
CID 13886
N-(2-Aminoethyl)isoquinoline-5-sulfonamide
CID 3544
N-(2-(Methylamino)ethyl)-5-isoquinolinesulfonamide
CID 3540
1-Tosylpyrrole
CID 640087
trans-(1S,2R)-2-[2-(benzenesulfonamido)ethyl]-N-methyl-1-pyridin-3-ylcyclohexane-1-carbothioamide
CID 9823280
4-Methyl-N-pyridin-2-ylmethyl-benzenesulfonamide
CID 731623
4-Methyl-N-pyridin-3-YL-benzenesulfonamide
CID 757406
Benzenesulfonic acid, 4-methyl-, compd. with pyridine (1:1)
CID 466102
4-(3-Quinolinyl)-Benzenesulfonamide
CID 122707123
1-N-(4-Sulfamoylphenyl-ethyl)-2,4,6-trimethylpyridinium
CID 5289159
4-{2-[(4-Methylphenyl)sulfonyl]ethyl}pyridine
CID 571666
BM-960102
CID 819349

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 4-pyridin-3-ylbenzenesulfonamide (CID 110453853) is 4-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-pyridin-3-ylbenzenesulfonamide is NS(=O)(=O)c1ccc(-c2cccnc2)cc1.
What is the InChIKey of 4-pyridin-3-ylbenzenesulfonamide?
The InChIKey is FGJNMMSBSNRDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c12-16(14,15)11-5-3-9(4-6-11)10-2-1-7-13-8-10/h1-8H,(H2,12,14,15).
What are the key properties of 4-pyridin-3-ylbenzenesulfonamide?
4-pyridin-3-ylbenzenesulfonamide has a molecular weight of 234.28 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 110453853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).