4-amino-N-(2-hydroxy-3-methoxypropyl)-3-methoxybenzenesulfonamide

C11H18N2O5S — CID 81438556

IUPAC4-amino-N-(2-hydroxy-3-methoxypropyl)-3-methoxybenzenesulfonamide
SMILESCOCC(O)CNS(=O)(=O)c1ccc(N)c(OC)c1
InChIInChI=1S/C11H18N2O5S/c1-17-7-8(14)6-13-19(15,16)9-3-4-10(12)11(5-9)18-2/h3-5,8,13-14H,6-7,12H2,1-2H3
InChIKeyRYYPLLGKKLTZIH-UHFFFAOYSA-N
MW290.34 g/mol
LogP-0.44
Rot. Bonds7

About 4-amino-N-(2-hydroxy-3-methoxypropyl)-3-methoxybenzenesulfonamide

4-amino-N-(2-hydroxy-3-methoxypropyl)-3-methoxybenzenesulfonamide (PubChem CID 81438556) has the molecular formula C11H18N2O5S and a molecular weight of 290.34 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxy-3-methoxypropyl)-3-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxy-3-methoxypropyl)-3-methoxybenzenesulfonamide
PubChem CID81438556
Molecular FormulaC11H18N2O5S
Molecular Weight290.34 g/mol
Exact Mass290.09
IUPAC Name4-amino-N-(2-hydroxy-3-methoxypropyl)-3-methoxybenzenesulfonamide
SMILESCOCC(O)CNS(=O)(=O)c1ccc(N)c(OC)c1
InChIInChI=1S/C11H18N2O5S/c1-17-7-8(14)6-13-19(15,16)9-3-4-10(12)11(5-9)18-2/h3-5,8,13-14H,6-7,12H2,1-2H3
InChIKeyRYYPLLGKKLTZIH-UHFFFAOYSA-N
XLogP-0.44
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-hydroxy-4-methylpentyl)-3-methoxybenzenesulfonamide
CID 107150845
4-amino-3-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 113466249
4-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
CID 81437876
4-amino-N-(2-ethylhexyl)-3-methoxybenzenesulfonamide
CID 107819726
4-amino-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide
CID 81438601
4-amino-3-methoxy-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106006616
4-amino-3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 114464967
4-amino-N-[3-(methanesulfonamido)propyl]-3-methoxybenzenesulfonamide
CID 106333246
4-amino-N-but-3-ynyl-3-methoxybenzenesulfonamide
CID 81438222
4-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methoxybenzenesulfonamide
CID 115454056
3-amino-N-(2-hydroxy-3-methoxypropyl)-2,5-dimethylbenzenesulfonamide
CID 79889329
4-amino-N-[4-(dimethylamino)butyl]-3-methoxybenzenesulfonamide
CID 81438619

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxy-3-methoxypropyl)-3-methoxybenzenesulfonamide?
The IUPAC name of 4-amino-N-(2-hydroxy-3-methoxypropyl)-3-methoxybenzenesulfonamide (CID 81438556) is 4-amino-N-(2-hydroxy-3-methoxypropyl)-3-methoxybenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2-hydroxy-3-methoxypropyl)-3-methoxybenzenesulfonamide?
The canonical SMILES for 4-amino-N-(2-hydroxy-3-methoxypropyl)-3-methoxybenzenesulfonamide is COCC(O)CNS(=O)(=O)c1ccc(N)c(OC)c1.
What is the InChIKey of 4-amino-N-(2-hydroxy-3-methoxypropyl)-3-methoxybenzenesulfonamide?
The InChIKey is RYYPLLGKKLTZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5S/c1-17-7-8(14)6-13-19(15,16)9-3-4-10(12)11(5-9)18-2/h3-5,8,13-14H,6-7,12H2,1-2H3.
What are the key properties of 4-amino-N-(2-hydroxy-3-methoxypropyl)-3-methoxybenzenesulfonamide?
4-amino-N-(2-hydroxy-3-methoxypropyl)-3-methoxybenzenesulfonamide has a molecular weight of 290.34 g/mol, XLogP of -0.44, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxy-3-methoxypropyl)-3-methoxybenzenesulfonamide is sourced from PubChem (CID 81438556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).