N-[1-[4-(dimethylamino)phenyl]-1-hydroxy-3-methylpentan-2-yl]-4-fluorobenzenesulfonamide

C20H27FN2O3S — CID 21078766

IUPACN-[1-[4-(dimethylamino)phenyl]-1-hydroxy-3-methylpentan-2-yl]-4-fluorobenzenesulfonamide
SMILESCCC(C)C(NS(=O)(=O)c1ccc(F)cc1)C(O)c1ccc(N(C)C)cc1
InChIInChI=1S/C20H27FN2O3S/c1-5-14(2)19(20(24)15-6-10-17(11-7-15)23(3)4)22-27(25,26)18-12-8-16(21)9-13-18/h6-14,19-20,22,24H,5H2,1-4H3
InChIKeyGIKFQWULZBAHSL-UHFFFAOYSA-N
MW394.51 g/mol
LogP3.32
Rot. Bonds8

About N-[1-[4-(dimethylamino)phenyl]-1-hydroxy-3-methylpentan-2-yl]-4-fluorobenzenesulfonamide

N-[1-[4-(dimethylamino)phenyl]-1-hydroxy-3-methylpentan-2-yl]-4-fluorobenzenesulfonamide (PubChem CID 21078766) has the molecular formula C20H27FN2O3S and a molecular weight of 394.51 g/mol. Its IUPAC name is N-[1-[4-(dimethylamino)phenyl]-1-hydroxy-3-methylpentan-2-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[4-(dimethylamino)phenyl]-1-hydroxy-3-methylpentan-2-yl]-4-fluorobenzenesulfonamide
PubChem CID21078766
Molecular FormulaC20H27FN2O3S
Molecular Weight394.51 g/mol
Exact Mass394.17
IUPAC NameN-[1-[4-(dimethylamino)phenyl]-1-hydroxy-3-methylpentan-2-yl]-4-fluorobenzenesulfonamide
SMILESCCC(C)C(NS(=O)(=O)c1ccc(F)cc1)C(O)c1ccc(N(C)C)cc1
InChIInChI=1S/C20H27FN2O3S/c1-5-14(2)19(20(24)15-6-10-17(11-7-15)23(3)4)22-27(25,26)18-12-8-16(21)9-13-18/h6-14,19-20,22,24H,5H2,1-4H3
InChIKeyGIKFQWULZBAHSL-UHFFFAOYSA-N
XLogP3.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-[1-[4-(dimethylamino)phenyl]-1-hydroxy-3-methylpentan-2-yl]-4-fluorobenzenesulfonamide 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-[1-[4-(dimethylamino)phenyl]-1-hydroxy-3-methylpentan-2-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[1-[4-(dimethylamino)phenyl]-1-hydroxy-3-methylpentan-2-yl]-4-fluorobenzenesulfonamide (CID 21078766) is N-[1-[4-(dimethylamino)phenyl]-1-hydroxy-3-methylpentan-2-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[1-[4-(dimethylamino)phenyl]-1-hydroxy-3-methylpentan-2-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[1-[4-(dimethylamino)phenyl]-1-hydroxy-3-methylpentan-2-yl]-4-fluorobenzenesulfonamide is CCC(C)C(NS(=O)(=O)c1ccc(F)cc1)C(O)c1ccc(N(C)C)cc1.
What is the InChIKey of N-[1-[4-(dimethylamino)phenyl]-1-hydroxy-3-methylpentan-2-yl]-4-fluorobenzenesulfonamide?
The InChIKey is GIKFQWULZBAHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O3S/c1-5-14(2)19(20(24)15-6-10-17(11-7-15)23(3)4)22-27(25,26)18-12-8-16(21)9-13-18/h6-14,19-20,22,24H,5H2,1-4H3.
What are the key properties of N-[1-[4-(dimethylamino)phenyl]-1-hydroxy-3-methylpentan-2-yl]-4-fluorobenzenesulfonamide?
N-[1-[4-(dimethylamino)phenyl]-1-hydroxy-3-methylpentan-2-yl]-4-fluorobenzenesulfonamide has a molecular weight of 394.51 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(dimethylamino)phenyl]-1-hydroxy-3-methylpentan-2-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 21078766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).