2-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide

C13H14N2O3S — CID 81241998

IUPAC2-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1cccnc1)c1ccccc1O
InChIInChI=1S/C13H14N2O3S/c16-12-5-1-2-6-13(12)19(17,18)15-9-7-11-4-3-8-14-10-11/h1-6,8,10,15-16H,7,9H2
InChIKeyFHBQYYVYPCKCLU-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.31
Rot. Bonds5

About 2-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide

2-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide (PubChem CID 81241998) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide
PubChem CID81241998
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name2-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1cccnc1)c1ccccc1O
InChIInChI=1S/C13H14N2O3S/c16-12-5-1-2-6-13(12)19(17,18)15-9-7-11-4-3-8-14-10-11/h1-6,8,10,15-16H,7,9H2
InChIKeyFHBQYYVYPCKCLU-UHFFFAOYSA-N
XLogP1.31
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(sulfamoylamino)ethyl]pyridine
CID 112684347
2-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 81241265
2,3,4,5,6-pentamethyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 3838924
3-amino-4-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60895708
5-methyl-4-(2-pyridin-3-ylethylsulfamoyl)furan-2-carboxylic acid
CID 62804149
4-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 3288066
3-N-(2-pyridin-3-ylethyl)benzene-1,3-disulfonamide
CID 55560053
2-bromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 37265711
2,5-dibromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 80712268
2-hydroxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 81241460
4-acetyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60729005
methyl 4-methyl-3-(2-pyridin-3-ylethylsulfamoyl)benzoate
CID 37265699

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide?
The IUPAC name of 2-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide (CID 81241998) is 2-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide is O=S(=O)(NCCc1cccnc1)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide?
The InChIKey is FHBQYYVYPCKCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c16-12-5-1-2-6-13(12)19(17,18)15-9-7-11-4-3-8-14-10-11/h1-6,8,10,15-16H,7,9H2.
What are the key properties of 2-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide?
2-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide has a molecular weight of 278.33 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 81241998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).