N-(5-chloro-2-hydroxyphenyl)-2-pyridin-4-ylethanesulfonamide

C13H13ClN2O3S — CID 60890757

IUPACN-(5-chloro-2-hydroxyphenyl)-2-pyridin-4-ylethanesulfonamide
SMILESO=S(=O)(CCc1ccncc1)Nc1cc(Cl)ccc1O
InChIInChI=1S/C13H13ClN2O3S/c14-11-1-2-13(17)12(9-11)16-20(18,19)8-5-10-3-6-15-7-4-10/h1-4,6-7,9,16-17H,5,8H2
InChIKeyKUQFSTVNTJHLBD-UHFFFAOYSA-N
MW312.78 g/mol
LogP2.42
Rot. Bonds5

About N-(5-chloro-2-hydroxyphenyl)-2-pyridin-4-ylethanesulfonamide

N-(5-chloro-2-hydroxyphenyl)-2-pyridin-4-ylethanesulfonamide (PubChem CID 60890757) has the molecular formula C13H13ClN2O3S and a molecular weight of 312.78 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-2-pyridin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-2-pyridin-4-ylethanesulfonamide
PubChem CID60890757
Molecular FormulaC13H13ClN2O3S
Molecular Weight312.78 g/mol
Exact Mass312.03
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-2-pyridin-4-ylethanesulfonamide
SMILESO=S(=O)(CCc1ccncc1)Nc1cc(Cl)ccc1O
InChIInChI=1S/C13H13ClN2O3S/c14-11-1-2-13(17)12(9-11)16-20(18,19)8-5-10-3-6-15-7-4-10/h1-4,6-7,9,16-17H,5,8H2
InChIKeyKUQFSTVNTJHLBD-UHFFFAOYSA-N
XLogP2.42
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-hydroxyphenyl)propane-1-sulfonamide
CID 43114648
N-(5-chloro-2-hydroxyphenyl)-2-pyridin-2-ylethanesulfonamide
CID 25040971
N-(5-chloro-2-hydroxyphenyl)dodecane-1-sulfonamide
CID 5122438
N-(2-chloro-3-pyridinyl)-2-pyridin-4-ylethanesulfonamide
CID 114052143
4-chloro-1-hydroxy-2-(sulfamoylamino)benzene
CID 28895885
N-(2-bromo-4-chlorophenyl)-2-phenylethanesulfonamide
CID 80970637
N-[2-(aminomethyl)-4-fluorophenyl]-2-pyridin-4-ylethanesulfonamide
CID 82013705
N-(2-amino-5-methoxyphenyl)-2-pyridin-4-ylethanesulfonamide
CID 63258916
N-(2-bromo-4-cyanophenyl)-2-pyridin-4-ylethanesulfonamide
CID 107796662
N-(2-amino-4-cyanophenyl)-2-pyridin-4-ylethanesulfonamide
CID 78965166
N-(5-chloro-2-hydroxyphenyl)-1-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
CID 47056452
N-(2-aminoethyl)-2-pyridin-4-ylethanesulfonamide
CID 60892089

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2-pyridin-4-ylethanesulfonamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2-pyridin-4-ylethanesulfonamide (CID 60890757) is N-(5-chloro-2-hydroxyphenyl)-2-pyridin-4-ylethanesulfonamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-2-pyridin-4-ylethanesulfonamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-2-pyridin-4-ylethanesulfonamide is O=S(=O)(CCc1ccncc1)Nc1cc(Cl)ccc1O.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-2-pyridin-4-ylethanesulfonamide?
The InChIKey is KUQFSTVNTJHLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S/c14-11-1-2-13(17)12(9-11)16-20(18,19)8-5-10-3-6-15-7-4-10/h1-4,6-7,9,16-17H,5,8H2.
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-2-pyridin-4-ylethanesulfonamide?
N-(5-chloro-2-hydroxyphenyl)-2-pyridin-4-ylethanesulfonamide has a molecular weight of 312.78 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-2-pyridin-4-ylethanesulfonamide is sourced from PubChem (CID 60890757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).