2-amino-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide

C10H16N2O4S — CID 43345862

IUPAC2-amino-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCO)c(N)c1
InChIInChI=1S/C10H16N2O4S/c1-16-8-3-4-10(9(11)7-8)17(14,15)12-5-2-6-13/h3-4,7,12-13H,2,5-6,11H2,1H3
InChIKeyWYGAHLCGNYSOEB-UHFFFAOYSA-N
MW260.31 g/mol
LogP-0.06
Rot. Bonds6

About 2-amino-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide

2-amino-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide (PubChem CID 43345862) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-amino-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide
PubChem CID43345862
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name2-amino-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCO)c(N)c1
InChIInChI=1S/C10H16N2O4S/c1-16-8-3-4-10(9(11)7-8)17(14,15)12-5-2-6-13/h3-4,7,12-13H,2,5-6,11H2,1H3
InChIKeyWYGAHLCGNYSOEB-UHFFFAOYSA-N
XLogP-0.06
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(6-hydroxyhexyl)-2,4-dimethoxybenzenesulfonamide
CID 103918378
2-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methoxybenzenesulfonamide
CID 115454045
2-amino-4-methoxy-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 60914928
2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-4-methoxybenzenesulfonamide
CID 106250052
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide
CID 62975887
2-amino-N-(2,2-dimethylbutyl)-4-methoxybenzenesulfonamide
CID 103460076
4-amino-N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 106840223
4-chloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide
CID 43501480
2-amino-N-[(2S)-1-hydroxybutan-2-yl]-4-methoxybenzenesulfonamide
CID 93081199
2-amino-4-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 115597756
2-amino-4-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 113466241
2-amino-N-[3-(hydroxymethyl)pentan-3-yl]-4-methoxybenzenesulfonamide
CID 62524804

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 2-amino-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide (CID 43345862) is 2-amino-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 2-amino-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCCCO)c(N)c1.
What is the InChIKey of 2-amino-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide?
The InChIKey is WYGAHLCGNYSOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-16-8-3-4-10(9(11)7-8)17(14,15)12-5-2-6-13/h3-4,7,12-13H,2,5-6,11H2,1H3.
What are the key properties of 2-amino-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide?
2-amino-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide has a molecular weight of 260.31 g/mol, XLogP of -0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 43345862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).