4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-difluorobenzenesulfonamide

C12H19F2N3O3S — CID 106140232

IUPAC4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-difluorobenzenesulfonamide
SMILESCN(C)CC(C)(O)CNS(=O)(=O)c1c(F)cc(N)cc1F
InChIInChI=1S/C12H19F2N3O3S/c1-12(18,7-17(2)3)6-16-21(19,20)11-9(13)4-8(15)5-10(11)14/h4-5,16,18H,6-7,15H2,1-3H3
InChIKeyJJUMPZUKRDGPEK-UHFFFAOYSA-N
MW323.37 g/mol
LogP0.14
Rot. Bonds6

About 4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-difluorobenzenesulfonamide

4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-difluorobenzenesulfonamide (PubChem CID 106140232) has the molecular formula C12H19F2N3O3S and a molecular weight of 323.37 g/mol. Its IUPAC name is 4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-difluorobenzenesulfonamide
PubChem CID106140232
Molecular FormulaC12H19F2N3O3S
Molecular Weight323.37 g/mol
Exact Mass323.11
IUPAC Name4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-difluorobenzenesulfonamide
SMILESCN(C)CC(C)(O)CNS(=O)(=O)c1c(F)cc(N)cc1F
InChIInChI=1S/C12H19F2N3O3S/c1-12(18,7-17(2)3)6-16-21(19,20)11-9(13)4-8(15)5-10(11)14/h4-5,16,18H,6-7,15H2,1-3H3
InChIKeyJJUMPZUKRDGPEK-UHFFFAOYSA-N
XLogP0.14
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-difluorobenzenesulfonamide with MolForge

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Related Compounds

5-amino-2-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide
CID 106140415
4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide
CID 104600145
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,4-difluorobenzenesulfonamide
CID 103838114
4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide
CID 106140315
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzenesulfonamide
CID 103838118
2-amino-5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide
CID 106140176
5-amino-4-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide
CID 106140330
4-amino-N-[2-(dimethylsulfamoyl)ethyl]-2,6-difluorobenzenesulfonamide
CID 106333567
4-amino-N-(2-hydroxy-2-methylbutyl)-2,6-dimethylbenzenesulfonamide
CID 79588525
5-amino-2,3-difluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide
CID 66181065
4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-3-fluorobenzenesulfonamide
CID 106145750
4-amino-2,6-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 54889018

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-difluorobenzenesulfonamide?
The IUPAC name of 4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-difluorobenzenesulfonamide (CID 106140232) is 4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for 4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-difluorobenzenesulfonamide?
The canonical SMILES for 4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-difluorobenzenesulfonamide is CN(C)CC(C)(O)CNS(=O)(=O)c1c(F)cc(N)cc1F.
What is the InChIKey of 4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-difluorobenzenesulfonamide?
The InChIKey is JJUMPZUKRDGPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O3S/c1-12(18,7-17(2)3)6-16-21(19,20)11-9(13)4-8(15)5-10(11)14/h4-5,16,18H,6-7,15H2,1-3H3.
What are the key properties of 4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-difluorobenzenesulfonamide?
4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-difluorobenzenesulfonamide has a molecular weight of 323.37 g/mol, XLogP of 0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 106140232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).