N-[[3-[2-(dimethylamino)ethyl-methylamino]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-4-fluorobenzenesulfonamide

C17H28FN3O5S — CID 74577848

IUPACN-[[3-[2-(dimethylamino)ethyl-methylamino]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-4-fluorobenzenesulfonamide
SMILESCN(C)CCN(C)C1C(CNS(=O)(=O)c2ccc(F)cc2)OC(CO)C1O
InChIInChI=1S/C17H28FN3O5S/c1-20(2)8-9-21(3)16-14(26-15(11-22)17(16)23)10-19-27(24,25)13-6-4-12(18)5-7-13/h4-7,14-17,19,22-23H,8-11H2,1-3H3
InChIKeyDHUROHLMTINJND-UHFFFAOYSA-N
MW405.49 g/mol
LogP-0.91
Rot. Bonds9

About N-[[3-[2-(dimethylamino)ethyl-methylamino]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-4-fluorobenzenesulfonamide

N-[[3-[2-(dimethylamino)ethyl-methylamino]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-4-fluorobenzenesulfonamide (PubChem CID 74577848) has the molecular formula C17H28FN3O5S and a molecular weight of 405.49 g/mol. Its IUPAC name is N-[[3-[2-(dimethylamino)ethyl-methylamino]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[[3-[2-(dimethylamino)ethyl-methylamino]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-4-fluorobenzenesulfonamide
PubChem CID74577848
Molecular FormulaC17H28FN3O5S
Molecular Weight405.49 g/mol
Exact Mass405.17
IUPAC NameN-[[3-[2-(dimethylamino)ethyl-methylamino]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-4-fluorobenzenesulfonamide
SMILESCN(C)CCN(C)C1C(CNS(=O)(=O)c2ccc(F)cc2)OC(CO)C1O
InChIInChI=1S/C17H28FN3O5S/c1-20(2)8-9-21(3)16-14(26-15(11-22)17(16)23)10-19-27(24,25)13-6-4-12(18)5-7-13/h4-7,14-17,19,22-23H,8-11H2,1-3H3
InChIKeyDHUROHLMTINJND-UHFFFAOYSA-N
XLogP-0.91
TPSA102.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.49
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[[3-[2-(dimethylamino)ethyl-methylamino]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-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-[[3-[2-(dimethylamino)ethyl-methylamino]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[[3-[2-(dimethylamino)ethyl-methylamino]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-4-fluorobenzenesulfonamide (CID 74577848) is N-[[3-[2-(dimethylamino)ethyl-methylamino]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[[3-[2-(dimethylamino)ethyl-methylamino]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[[3-[2-(dimethylamino)ethyl-methylamino]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-4-fluorobenzenesulfonamide is CN(C)CCN(C)C1C(CNS(=O)(=O)c2ccc(F)cc2)OC(CO)C1O.
What is the InChIKey of N-[[3-[2-(dimethylamino)ethyl-methylamino]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-4-fluorobenzenesulfonamide?
The InChIKey is DHUROHLMTINJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3O5S/c1-20(2)8-9-21(3)16-14(26-15(11-22)17(16)23)10-19-27(24,25)13-6-4-12(18)5-7-13/h4-7,14-17,19,22-23H,8-11H2,1-3H3.
What are the key properties of N-[[3-[2-(dimethylamino)ethyl-methylamino]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-4-fluorobenzenesulfonamide?
N-[[3-[2-(dimethylamino)ethyl-methylamino]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-4-fluorobenzenesulfonamide has a molecular weight of 405.49 g/mol, XLogP of -0.91, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(dimethylamino)ethyl-methylamino]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 74577848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).