3-amino-4-hydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide

C11H14N4O4S — CID 106413793

IUPAC3-amino-4-hydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
SMILESCc1noc(CCNS(=O)(=O)c2ccc(O)c(N)c2)n1
InChIInChI=1S/C11H14N4O4S/c1-7-14-11(19-15-7)4-5-13-20(17,18)8-2-3-10(16)9(12)6-8/h2-3,6,13,16H,4-5,12H2,1H3
InChIKeyRQILLFDFVKBPQL-UHFFFAOYSA-N
MW298.32 g/mol
LogP0.19
Rot. Bonds5

About 3-amino-4-hydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide

3-amino-4-hydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 106413793) has the molecular formula C11H14N4O4S and a molecular weight of 298.32 g/mol. Its IUPAC name is 3-amino-4-hydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-hydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
PubChem CID106413793
Molecular FormulaC11H14N4O4S
Molecular Weight298.32 g/mol
Exact Mass298.07
IUPAC Name3-amino-4-hydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
SMILESCc1noc(CCNS(=O)(=O)c2ccc(O)c(N)c2)n1
InChIInChI=1S/C11H14N4O4S/c1-7-14-11(19-15-7)4-5-13-20(17,18)8-2-3-10(16)9(12)6-8/h2-3,6,13,16H,4-5,12H2,1H3
InChIKeyRQILLFDFVKBPQL-UHFFFAOYSA-N
XLogP0.19
TPSA131.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-chloro-4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106413778
4-chloro-3-(hydroxymethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106423534
3-amino-5-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106413692
3-amino-4-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 61237820
4-(methylaminomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106419948
3-amino-4-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
CID 43345879
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 106421967
2-amino-6-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106413696
2-amino-4-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106413739
3-amino-4-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333265
3-amino-4-hydroxy-N-pentylbenzenesulfonamide
CID 29051411
3-hydroxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 81259149

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-hydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-amino-4-hydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide (CID 106413793) is 3-amino-4-hydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-4-hydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-amino-4-hydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide is Cc1noc(CCNS(=O)(=O)c2ccc(O)c(N)c2)n1.
What is the InChIKey of 3-amino-4-hydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is RQILLFDFVKBPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4S/c1-7-14-11(19-15-7)4-5-13-20(17,18)8-2-3-10(16)9(12)6-8/h2-3,6,13,16H,4-5,12H2,1H3.
What are the key properties of 3-amino-4-hydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide?
3-amino-4-hydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 298.32 g/mol, XLogP of 0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-hydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106413793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).