N-[2-hydroxy-5-[2-(methylamino)ethyl]phenyl]methanesulfonamide;hydrobromide

C10H17BrN2O3S — CID 45260871

IUPACN-[2-hydroxy-5-[2-(methylamino)ethyl]phenyl]methanesulfonamide;hydrobromide
SMILESBr.CNCCc1ccc(O)c(NS(C)(=O)=O)c1
InChIInChI=1S/C10H16N2O3S.BrH/c1-11-6-5-8-3-4-10(13)9(7-8)12-16(2,14)15;/h3-4,7,11-13H,5-6H2,1-2H3;1H
InChIKeyNTIYQDYMVRYSHZ-UHFFFAOYSA-N
MW325.23 g/mol
LogP1.10
Rot. Bonds5

About N-[2-hydroxy-5-[2-(methylamino)ethyl]phenyl]methanesulfonamide;hydrobromide

N-[2-hydroxy-5-[2-(methylamino)ethyl]phenyl]methanesulfonamide;hydrobromide (PubChem CID 45260871) has the molecular formula C10H17BrN2O3S and a molecular weight of 325.23 g/mol. Its IUPAC name is N-[2-hydroxy-5-[2-(methylamino)ethyl]phenyl]methanesulfonamide;hydrobromide.

Molecular Properties

Compound NameN-[2-hydroxy-5-[2-(methylamino)ethyl]phenyl]methanesulfonamide;hydrobromide
PubChem CID45260871
Molecular FormulaC10H17BrN2O3S
Molecular Weight325.23 g/mol
Exact Mass324.01
IUPAC NameN-[2-hydroxy-5-[2-(methylamino)ethyl]phenyl]methanesulfonamide;hydrobromide
SMILESBr.CNCCc1ccc(O)c(NS(C)(=O)=O)c1
InChIInChI=1S/C10H16N2O3S.BrH/c1-11-6-5-8-3-4-10(13)9(7-8)12-16(2,14)15;/h3-4,7,11-13H,5-6H2,1-2H3;1H
InChIKeyNTIYQDYMVRYSHZ-UHFFFAOYSA-N
XLogP1.10
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-5-[2-(methylamino)ethyl]phenyl]methanesulfonamide;hydrobromide?
The IUPAC name of N-[2-hydroxy-5-[2-(methylamino)ethyl]phenyl]methanesulfonamide;hydrobromide (CID 45260871) is N-[2-hydroxy-5-[2-(methylamino)ethyl]phenyl]methanesulfonamide;hydrobromide.
What is the SMILES notation for N-[2-hydroxy-5-[2-(methylamino)ethyl]phenyl]methanesulfonamide;hydrobromide?
The canonical SMILES for N-[2-hydroxy-5-[2-(methylamino)ethyl]phenyl]methanesulfonamide;hydrobromide is Br.CNCCc1ccc(O)c(NS(C)(=O)=O)c1.
What is the InChIKey of N-[2-hydroxy-5-[2-(methylamino)ethyl]phenyl]methanesulfonamide;hydrobromide?
The InChIKey is NTIYQDYMVRYSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S.BrH/c1-11-6-5-8-3-4-10(13)9(7-8)12-16(2,14)15;/h3-4,7,11-13H,5-6H2,1-2H3;1H.
What are the key properties of N-[2-hydroxy-5-[2-(methylamino)ethyl]phenyl]methanesulfonamide;hydrobromide?
N-[2-hydroxy-5-[2-(methylamino)ethyl]phenyl]methanesulfonamide;hydrobromide has a molecular weight of 325.23 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-5-[2-(methylamino)ethyl]phenyl]methanesulfonamide;hydrobromide is sourced from PubChem (CID 45260871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).