N-(2-amino-5-methoxyphenyl)-2-pyridin-4-ylethanesulfonamide

C14H17N3O3S — CID 63258916

IUPACN-(2-amino-5-methoxyphenyl)-2-pyridin-4-ylethanesulfonamide
SMILESCOc1ccc(N)c(NS(=O)(=O)CCc2ccncc2)c1
InChIInChI=1S/C14H17N3O3S/c1-20-12-2-3-13(15)14(10-12)17-21(18,19)9-6-11-4-7-16-8-5-11/h2-5,7-8,10,17H,6,9,15H2,1H3
InChIKeyHRSZBGOTUXHNGV-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.66
Rot. Bonds6

About N-(2-amino-5-methoxyphenyl)-2-pyridin-4-ylethanesulfonamide

N-(2-amino-5-methoxyphenyl)-2-pyridin-4-ylethanesulfonamide (PubChem CID 63258916) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-2-pyridin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-2-pyridin-4-ylethanesulfonamide
PubChem CID63258916
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-(2-amino-5-methoxyphenyl)-2-pyridin-4-ylethanesulfonamide
SMILESCOc1ccc(N)c(NS(=O)(=O)CCc2ccncc2)c1
InChIInChI=1S/C14H17N3O3S/c1-20-12-2-3-13(15)14(10-12)17-21(18,19)9-6-11-4-7-16-8-5-11/h2-5,7-8,10,17H,6,9,15H2,1H3
InChIKeyHRSZBGOTUXHNGV-UHFFFAOYSA-N
XLogP1.66
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-phenylethanesulfonamide
CID 110756497
N-(2-amino-5-methoxyphenyl)prop-2-ene-1-sulfonamide
CID 79673212
2-amino-4-methoxy-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 60914928
N-(2-amino-4-cyanophenyl)-2-pyridin-4-ylethanesulfonamide
CID 78965166
N-methoxy-2-pyridin-4-ylethanesulfonamide
CID 64973891
2-N-(2-ethylsulfonylethyl)-4-methoxybenzene-1,2-diamine
CID 114110496
4-methoxy-2-(pyridin-4-ylmethyl)aniline
CID 105467827
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-pyridin-4-ylethanesulfonamide
CID 83095311
N-(2,5-dimethoxyphenyl)propane-1-sulfonamide
CID 60640726
N-(5-chloro-2-hydroxyphenyl)-2-pyridin-4-ylethanesulfonamide
CID 60890757
N-(2-chloro-3-pyridinyl)-2-pyridin-4-ylethanesulfonamide
CID 114052143
N-(3-bromo-5-methylphenyl)-2-pyridin-4-ylethanesulfonamide
CID 107583973

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-2-pyridin-4-ylethanesulfonamide?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-2-pyridin-4-ylethanesulfonamide (CID 63258916) is N-(2-amino-5-methoxyphenyl)-2-pyridin-4-ylethanesulfonamide.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-2-pyridin-4-ylethanesulfonamide?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-2-pyridin-4-ylethanesulfonamide is COc1ccc(N)c(NS(=O)(=O)CCc2ccncc2)c1.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-2-pyridin-4-ylethanesulfonamide?
The InChIKey is HRSZBGOTUXHNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-20-12-2-3-13(15)14(10-12)17-21(18,19)9-6-11-4-7-16-8-5-11/h2-5,7-8,10,17H,6,9,15H2,1H3.
What are the key properties of N-(2-amino-5-methoxyphenyl)-2-pyridin-4-ylethanesulfonamide?
N-(2-amino-5-methoxyphenyl)-2-pyridin-4-ylethanesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)-2-pyridin-4-ylethanesulfonamide is sourced from PubChem (CID 63258916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).