2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N-methyl-N-propylbenzenesulfonamide

C13H15F2NO3S — CID 60844245

IUPAC2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N-methyl-N-propylbenzenesulfonamide
SMILESCCCN(C)S(=O)(=O)c1c(F)cc(F)cc1C#CCO
InChIInChI=1S/C13H15F2NO3S/c1-3-6-16(2)20(18,19)13-10(5-4-7-17)8-11(14)9-12(13)15/h8-9,17H,3,6-7H2,1-2H3
InChIKeyIYOQBDKOMVAALU-UHFFFAOYSA-N
MW303.33 g/mol
LogP1.34
Rot. Bonds4

About 2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N-methyl-N-propylbenzenesulfonamide

2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N-methyl-N-propylbenzenesulfonamide (PubChem CID 60844245) has the molecular formula C13H15F2NO3S and a molecular weight of 303.33 g/mol. Its IUPAC name is 2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N-methyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N-methyl-N-propylbenzenesulfonamide
PubChem CID60844245
Molecular FormulaC13H15F2NO3S
Molecular Weight303.33 g/mol
Exact Mass303.07
IUPAC Name2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N-methyl-N-propylbenzenesulfonamide
SMILESCCCN(C)S(=O)(=O)c1c(F)cc(F)cc1C#CCO
InChIInChI=1S/C13H15F2NO3S/c1-3-6-16(2)20(18,19)13-10(5-4-7-17)8-11(14)9-12(13)15/h8-9,17H,3,6-7H2,1-2H3
InChIKeyIYOQBDKOMVAALU-UHFFFAOYSA-N
XLogP1.34
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N-methyl-N-propylbenzenesulfonamide 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

2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N',N'-dimethylbenzenesulfonohydrazide
CID 83022545
N-(2-bromoethyl)-2,4,6-trifluoro-N-methylbenzenesulfonamide
CID 80670108
3-(3-hydroxyprop-1-ynyl)-4-methoxy-N-methyl-N-propylbenzenesulfonamide
CID 60844074
2-(3-aminoprop-1-ynyl)-N-cyclopropyl-4,6-difluoro-N-methylbenzenesulfonamide
CID 60845017
2-(3-aminoprop-1-ynyl)-4,6-difluoro-N',N'-dimethylbenzenesulfonohydrazide
CID 83023748
N-(5-bromopentyl)-2,4,6-trifluoro-N-methylbenzenesulfonamide
CID 107206320
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(3-methoxypropyl)-N-methylbenzenesulfonamide
CID 62986221
2,4,6-trifluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387138
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 60846168
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(3-methoxypropyl)-N-methylbenzenesulfonamide
CID 107651323
N-(2-aminoethyl)-2-bromo-4,6-difluoro-N-methylbenzenesulfonamide
CID 62686253
N,N-diethyl-3-fluoro-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 107650437

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N-methyl-N-propylbenzenesulfonamide?
The IUPAC name of 2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N-methyl-N-propylbenzenesulfonamide (CID 60844245) is 2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N-methyl-N-propylbenzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N-methyl-N-propylbenzenesulfonamide?
The canonical SMILES for 2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N-methyl-N-propylbenzenesulfonamide is CCCN(C)S(=O)(=O)c1c(F)cc(F)cc1C#CCO.
What is the InChIKey of 2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N-methyl-N-propylbenzenesulfonamide?
The InChIKey is IYOQBDKOMVAALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO3S/c1-3-6-16(2)20(18,19)13-10(5-4-7-17)8-11(14)9-12(13)15/h8-9,17H,3,6-7H2,1-2H3.
What are the key properties of 2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N-methyl-N-propylbenzenesulfonamide?
2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N-methyl-N-propylbenzenesulfonamide has a molecular weight of 303.33 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N-methyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 60844245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).