3-amino-4-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide

C13H15N3O3S — CID 60895708

IUPAC3-amino-4-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCCc2cccnc2)ccc1O
InChIInChI=1S/C13H15N3O3S/c14-12-8-11(3-4-13(12)17)20(18,19)16-7-5-10-2-1-6-15-9-10/h1-4,6,8-9,16-17H,5,7,14H2
InChIKeyOCGFDHDPDYDUQT-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.89
Rot. Bonds5

About 3-amino-4-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide

3-amino-4-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide (PubChem CID 60895708) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 3-amino-4-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide
PubChem CID60895708
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name3-amino-4-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCCc2cccnc2)ccc1O
InChIInChI=1S/C13H15N3O3S/c14-12-8-11(3-4-13(12)17)20(18,19)16-7-5-10-2-1-6-15-9-10/h1-4,6,8-9,16-17H,5,7,14H2
InChIKeyOCGFDHDPDYDUQT-UHFFFAOYSA-N
XLogP0.89
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-N-(2-pyridin-3-ylethyl)benzene-1,3-disulfonamide
CID 55560053
3-amino-4-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 61237820
3-amino-4-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
CID 43345879
2-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 81241998
4-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 3288066
3-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60729110
3-[2-(sulfamoylamino)ethyl]pyridine
CID 112684347
2-chloro-N-(2-pyridin-3-ylethyl)pyridine-4-sulfonamide
CID 54895970
4-acetyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60729005
3-amino-4-hydroxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61459596
3-amino-4-hydroxy-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 61324481
3-amino-4-nitro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 82845301

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide (CID 60895708) is 3-amino-4-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide is Nc1cc(S(=O)(=O)NCCc2cccnc2)ccc1O.
What is the InChIKey of 3-amino-4-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide?
The InChIKey is OCGFDHDPDYDUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c14-12-8-11(3-4-13(12)17)20(18,19)16-7-5-10-2-1-6-15-9-10/h1-4,6,8-9,16-17H,5,7,14H2.
What are the key properties of 3-amino-4-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide?
3-amino-4-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide has a molecular weight of 293.35 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 60895708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).