3-hydroxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide

C13H14N2O3S — CID 81258843

IUPAC3-hydroxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cccc(O)c1)c1cccnc1
InChIInChI=1S/C13H14N2O3S/c1-10(11-4-3-7-14-9-11)15-19(17,18)13-6-2-5-12(16)8-13/h2-10,15-16H,1H3
InChIKeyCVRQVXZUVMCRCN-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.83
Rot. Bonds4

About 3-hydroxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide

3-hydroxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide (PubChem CID 81258843) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 3-hydroxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-hydroxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide
PubChem CID81258843
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name3-hydroxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cccc(O)c1)c1cccnc1
InChIInChI=1S/C13H14N2O3S/c1-10(11-4-3-7-14-9-11)15-19(17,18)13-6-2-5-12(16)8-13/h2-10,15-16H,1H3
InChIKeyCVRQVXZUVMCRCN-UHFFFAOYSA-N
XLogP1.83
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 47111104
3-(1-pyridin-3-ylethylsulfamoyl)benzenecarbothioamide
CID 43523805
3-hydroxy-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 81259142
4-amino-3-chloro-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 115329699
4-[[(1S)-1-pyridin-3-ylethyl]sulfamoyl]benzamide
CID 92520306
N-(1-pyridin-3-ylethyl)-1,3-benzodioxole-5-sulfonamide
CID 110724502
2,4,5-trifluoro-N-[(1S)-1-pyridin-3-ylethyl]benzenesulfonamide
CID 95310179
2-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-4-sulfonamide
CID 61051398
2,6-difluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 47111106
2,4,5-trimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 71954745
N-(4-fluoro-3-methylphenyl)-3-(1-pyridin-3-ylethylsulfamoyl)benzamide
CID 90075293
2,3-dichloro-N-[(1R)-1-pyridin-3-ylethyl]benzenesulfonamide
CID 40673104

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide?
The IUPAC name of 3-hydroxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide (CID 81258843) is 3-hydroxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-hydroxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-hydroxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1cccc(O)c1)c1cccnc1.
What is the InChIKey of 3-hydroxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide?
The InChIKey is CVRQVXZUVMCRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-10(11-4-3-7-14-9-11)15-19(17,18)13-6-2-5-12(16)8-13/h2-10,15-16H,1H3.
What are the key properties of 3-hydroxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide?
3-hydroxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide has a molecular weight of 278.33 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 81258843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).