N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide

C12H20N2O3S — CID 5253

💊View drug profile → sotalol
IUPACN-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide
SMILESCC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3
InChIKeyZBMZVLHSJCTVON-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.09
Rot. Bonds6

About N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide

N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide (PubChem CID 5253) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide
PubChem CID5253
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide
SMILESCC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3
InChIKeyZBMZVLHSJCTVON-UHFFFAOYSA-N
XLogP1.09
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ibutilide
CID 60753
Sotalol Hydrochloride
CID 66245
(RS)-Nifenalol
CID 6317
Cimaterol
CID 2755
Amidephrine
CID 15010
NS-49
CID 9838763
Dexsotalol
CID 119259
Artilide
CID 131606
Benzenemethanol, alpha-(((1-methylethyl)amino)methyl)-4-nitro-, monohydrochloride
CID 6316
2-((4-Aminophenethyl)amino)-1-phenylethanol, (R)-
CID 52953008
U-82209E
CID 24848689
Trecetilide
CID 163300

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide (CID 5253) is N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide is CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide?
The InChIKey is ZBMZVLHSJCTVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3.
What are the key properties of N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide?
N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 5253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).