N-(3,3-difluoro-2-hydroxypropyl)-4-methoxy-3-methylbenzenesulfonamide

C11H15F2NO4S — CID 103836926

IUPACN-(3,3-difluoro-2-hydroxypropyl)-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(O)C(F)F)cc1C
InChIInChI=1S/C11H15F2NO4S/c1-7-5-8(3-4-10(7)18-2)19(16,17)14-6-9(15)11(12)13/h3-5,9,11,14-15H,6H2,1-2H3
InChIKeyVYJBMPPBPQDCHL-UHFFFAOYSA-N
MW295.31 g/mol
LogP0.91
Rot. Bonds6

About N-(3,3-difluoro-2-hydroxypropyl)-4-methoxy-3-methylbenzenesulfonamide

N-(3,3-difluoro-2-hydroxypropyl)-4-methoxy-3-methylbenzenesulfonamide (PubChem CID 103836926) has the molecular formula C11H15F2NO4S and a molecular weight of 295.31 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-4-methoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-4-methoxy-3-methylbenzenesulfonamide
PubChem CID103836926
Molecular FormulaC11H15F2NO4S
Molecular Weight295.31 g/mol
Exact Mass295.07
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-4-methoxy-3-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(O)C(F)F)cc1C
InChIInChI=1S/C11H15F2NO4S/c1-7-5-8(3-4-10(7)18-2)19(16,17)14-6-9(15)11(12)13/h3-5,9,11,14-15H,6H2,1-2H3
InChIKeyVYJBMPPBPQDCHL-UHFFFAOYSA-N
XLogP0.91
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3,3-difluoro-2-hydroxypropyl)-4-methoxy-3-methylbenzenesulfonamide 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

N-(3-hydroxy-2-methylpropyl)-4-methoxy-3-methylbenzenesulfonamide
CID 65034163
N-(2-ethylbutyl)-4-methoxy-3-methylbenzenesulfonamide
CID 115613367
2-[[(4-methoxy-3-methylphenyl)sulfonylamino]methyl]butanoic acid
CID 65222500
4-cyano-N-(3,3-difluoro-2-hydroxypropyl)-3-methylbenzenesulfonamide
CID 106833452
5-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]-2-methylbenzamide
CID 103836901
5-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-methoxybenzenesulfonamide
CID 103836787
N-(2-amino-2-cyclopropylethyl)-4-methoxy-3-methylbenzenesulfonamide
CID 115301370
4-methoxy-3-methyl-N-(2-piperidin-1-ylpropyl)benzenesulfonamide
CID 112502382
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 90613477
N-[2-(furan-2-yl)-2-methoxyethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 121145624
N-(3,3-difluoro-2-hydroxypropyl)naphthalene-2-sulfonamide
CID 103836737
N-(2-ethyl-2-hydroxybutyl)-4-methoxy-3-methylbenzenesulfonamide
CID 65113407

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-4-methoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-4-methoxy-3-methylbenzenesulfonamide (CID 103836926) is N-(3,3-difluoro-2-hydroxypropyl)-4-methoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-4-methoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-4-methoxy-3-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)NCC(O)C(F)F)cc1C.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-4-methoxy-3-methylbenzenesulfonamide?
The InChIKey is VYJBMPPBPQDCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO4S/c1-7-5-8(3-4-10(7)18-2)19(16,17)14-6-9(15)11(12)13/h3-5,9,11,14-15H,6H2,1-2H3.
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-4-methoxy-3-methylbenzenesulfonamide?
N-(3,3-difluoro-2-hydroxypropyl)-4-methoxy-3-methylbenzenesulfonamide has a molecular weight of 295.31 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-4-methoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 103836926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).