N-[2-(4-aminophenyl)-2-hydroxyethyl]pyridine-3-sulfonamide

C13H15N3O3S — CID 43461535

IUPACN-[2-(4-aminophenyl)-2-hydroxyethyl]pyridine-3-sulfonamide
SMILESNc1ccc(C(O)CNS(=O)(=O)c2cccnc2)cc1
InChIInChI=1S/C13H15N3O3S/c14-11-5-3-10(4-6-11)13(17)9-16-20(18,19)12-2-1-7-15-8-12/h1-8,13,16-17H,9,14H2
InChIKeyPEQJOECJWAJGKT-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.68
Rot. Bonds5

About N-[2-(4-aminophenyl)-2-hydroxyethyl]pyridine-3-sulfonamide

N-[2-(4-aminophenyl)-2-hydroxyethyl]pyridine-3-sulfonamide (PubChem CID 43461535) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)-2-hydroxyethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)-2-hydroxyethyl]pyridine-3-sulfonamide
PubChem CID43461535
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC NameN-[2-(4-aminophenyl)-2-hydroxyethyl]pyridine-3-sulfonamide
SMILESNc1ccc(C(O)CNS(=O)(=O)c2cccnc2)cc1
InChIInChI=1S/C13H15N3O3S/c14-11-5-3-10(4-6-11)13(17)9-16-20(18,19)12-2-1-7-15-8-12/h1-8,13,16-17H,9,14H2
InChIKeyPEQJOECJWAJGKT-UHFFFAOYSA-N
XLogP0.68
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 ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]pyridine-3-sulfonamide
CID 126852746
N-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]pyridine-3-sulfonamide
CID 124727871
(2S)-2-hydroxy-3-(pyridin-3-ylsulfonylamino)propanoic acid
CID 104935920
N-[2-(4-aminophenyl)-2-hydroxyethyl]ethanesulfonamide
CID 43461540
N-(4-propan-2-ylphenyl)pyridine-3-sulfonamide
CID 110865791
N-(3,3-diphenylpropyl)pyridine-3-sulfonamide
CID 25036176
N-[2-(diethylamino)propyl]pyridine-3-sulfonamide
CID 60548624
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 43461531
N-(3-amino-2,2-dimethylpropyl)pyridine-3-sulfonamide
CID 115365958
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-bromothiophene-2-sulfonamide
CID 61457857
N-(2-amino-2-methylpropyl)pyridine-3-sulfonamide
CID 115303456
N-(2-chloro-4,4-dimethylpentyl)pyridine-3-sulfonamide
CID 107158011

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)-2-hydroxyethyl]pyridine-3-sulfonamide?
The IUPAC name of N-[2-(4-aminophenyl)-2-hydroxyethyl]pyridine-3-sulfonamide (CID 43461535) is N-[2-(4-aminophenyl)-2-hydroxyethyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[2-(4-aminophenyl)-2-hydroxyethyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[2-(4-aminophenyl)-2-hydroxyethyl]pyridine-3-sulfonamide is Nc1ccc(C(O)CNS(=O)(=O)c2cccnc2)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)-2-hydroxyethyl]pyridine-3-sulfonamide?
The InChIKey is PEQJOECJWAJGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c14-11-5-3-10(4-6-11)13(17)9-16-20(18,19)12-2-1-7-15-8-12/h1-8,13,16-17H,9,14H2.
What are the key properties of N-[2-(4-aminophenyl)-2-hydroxyethyl]pyridine-3-sulfonamide?
N-[2-(4-aminophenyl)-2-hydroxyethyl]pyridine-3-sulfonamide has a molecular weight of 293.35 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)-2-hydroxyethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 43461535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).