N-[2-hydroxy-3-(propan-2-ylamino)propyl]-N,4-dimethylbenzenesulfonamide

C14H24N2O3S — CID 71779617

IUPACN-[2-hydroxy-3-(propan-2-ylamino)propyl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(O)CNC(C)C)cc1
InChIInChI=1S/C14H24N2O3S/c1-11(2)15-9-13(17)10-16(4)20(18,19)14-7-5-12(3)6-8-14/h5-8,11,13,15,17H,9-10H2,1-4H3
InChIKeyCRQULWQERGQJDX-UHFFFAOYSA-N
MW300.42 g/mol
LogP0.97
Rot. Bonds7

About N-[2-hydroxy-3-(propan-2-ylamino)propyl]-N,4-dimethylbenzenesulfonamide

N-[2-hydroxy-3-(propan-2-ylamino)propyl]-N,4-dimethylbenzenesulfonamide (PubChem CID 71779617) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-[2-hydroxy-3-(propan-2-ylamino)propyl]-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(propan-2-ylamino)propyl]-N,4-dimethylbenzenesulfonamide
PubChem CID71779617
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-[2-hydroxy-3-(propan-2-ylamino)propyl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(O)CNC(C)C)cc1
InChIInChI=1S/C14H24N2O3S/c1-11(2)15-9-13(17)10-16(4)20(18,19)14-7-5-12(3)6-8-14/h5-8,11,13,15,17H,9-10H2,1-4H3
InChIKeyCRQULWQERGQJDX-UHFFFAOYSA-N
XLogP0.97
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-hydroxy-3-(propan-2-ylamino)propyl]-N,4-dimethylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(propan-2-ylamino)propyl]-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-hydroxy-3-(propan-2-ylamino)propyl]-N,4-dimethylbenzenesulfonamide (CID 71779617) is N-[2-hydroxy-3-(propan-2-ylamino)propyl]-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-hydroxy-3-(propan-2-ylamino)propyl]-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-hydroxy-3-(propan-2-ylamino)propyl]-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)CC(O)CNC(C)C)cc1.
What is the InChIKey of N-[2-hydroxy-3-(propan-2-ylamino)propyl]-N,4-dimethylbenzenesulfonamide?
The InChIKey is CRQULWQERGQJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-11(2)15-9-13(17)10-16(4)20(18,19)14-7-5-12(3)6-8-14/h5-8,11,13,15,17H,9-10H2,1-4H3.
What are the key properties of N-[2-hydroxy-3-(propan-2-ylamino)propyl]-N,4-dimethylbenzenesulfonamide?
N-[2-hydroxy-3-(propan-2-ylamino)propyl]-N,4-dimethylbenzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(propan-2-ylamino)propyl]-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 71779617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).