4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-3-fluorobenzenesulfonamide

C12H20FN3O3S — CID 106145750

IUPAC4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-3-fluorobenzenesulfonamide
SMILESCN(C)CC(C)(O)CNc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C12H20FN3O3S/c1-12(17,8-16(2)3)7-15-11-5-4-9(6-10(11)13)20(14,18)19/h4-6,15,17H,7-8H2,1-3H3,(H2,14,18,19)
InChIKeyNFUODTJIOJHSBA-UHFFFAOYSA-N
MW305.37 g/mol
LogP0.20
Rot. Bonds6

About 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-3-fluorobenzenesulfonamide

4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-3-fluorobenzenesulfonamide (PubChem CID 106145750) has the molecular formula C12H20FN3O3S and a molecular weight of 305.37 g/mol. Its IUPAC name is 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-3-fluorobenzenesulfonamide
PubChem CID106145750
Molecular FormulaC12H20FN3O3S
Molecular Weight305.37 g/mol
Exact Mass305.12
IUPAC Name4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-3-fluorobenzenesulfonamide
SMILESCN(C)CC(C)(O)CNc1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C12H20FN3O3S/c1-12(17,8-16(2)3)7-15-11-5-4-9(6-10(11)13)20(14,18)19/h4-6,15,17H,7-8H2,1-3H3,(H2,14,18,19)
InChIKeyNFUODTJIOJHSBA-UHFFFAOYSA-N
XLogP0.20
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-3-fluorobenzenesulfonamide 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

3-fluoro-4-[(2-hydroxy-2,4-dimethylpentyl)amino]benzenesulfonamide
CID 66180002
4-[(2-amino-2-methylpropyl)amino]-3-fluorobenzenesulfonamide
CID 115303754
3-fluoro-4-(propylamino)benzenesulfonamide
CID 60713095
4-[(3-ethyl-2-hydroxypentyl)amino]-3-fluorobenzenesulfonamide
CID 106287531
N-(2-fluoro-4-sulfamoylphenyl)-3,3-dimethylbutanamide
CID 43246651
4-[[1-(dimethylamino)cyclopentyl]methylamino]-3-fluorobenzenesulfonamide
CID 83114460
tert-butyl N-[2-(2-fluoro-4-sulfamoylanilino)-2-oxoethyl]-N-methylcarbamate
CID 10808548
1-(2-amino-3,5-difluoroanilino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 106141719
3-fluoro-4-(4-hydroxybutylamino)benzenesulfonamide
CID 106842759
4-(2,3-dimethylbutylamino)-3-fluorobenzenesulfonamide
CID 64599794
4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-difluorobenzenesulfonamide
CID 106140232
3-amino-4-[(2-hydroxy-2-methylpentyl)amino]benzenesulfonamide
CID 106290169

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-3-fluorobenzenesulfonamide?
The IUPAC name of 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-3-fluorobenzenesulfonamide (CID 106145750) is 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-3-fluorobenzenesulfonamide is CN(C)CC(C)(O)CNc1ccc(S(N)(=O)=O)cc1F.
What is the InChIKey of 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-3-fluorobenzenesulfonamide?
The InChIKey is NFUODTJIOJHSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3O3S/c1-12(17,8-16(2)3)7-15-11-5-4-9(6-10(11)13)20(14,18)19/h4-6,15,17H,7-8H2,1-3H3,(H2,14,18,19).
What are the key properties of 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-3-fluorobenzenesulfonamide?
4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-3-fluorobenzenesulfonamide has a molecular weight of 305.37 g/mol, XLogP of 0.20, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 106145750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).