2-amino-N-(2,2-difluoro-3-hydroxypropyl)-3,6-dimethylbenzenesulfonamide

C11H16F2N2O3S — CID 106165700

IUPAC2-amino-N-(2,2-difluoro-3-hydroxypropyl)-3,6-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCC(F)(F)CO)c1N
InChIInChI=1S/C11H16F2N2O3S/c1-7-3-4-8(2)10(9(7)14)19(17,18)15-5-11(12,13)6-16/h3-4,15-16H,5-6,14H2,1-2H3
InChIKeyUIYAWEZDCSOIQJ-UHFFFAOYSA-N
MW294.32 g/mol
LogP0.79
Rot. Bonds5

About 2-amino-N-(2,2-difluoro-3-hydroxypropyl)-3,6-dimethylbenzenesulfonamide

2-amino-N-(2,2-difluoro-3-hydroxypropyl)-3,6-dimethylbenzenesulfonamide (PubChem CID 106165700) has the molecular formula C11H16F2N2O3S and a molecular weight of 294.32 g/mol. Its IUPAC name is 2-amino-N-(2,2-difluoro-3-hydroxypropyl)-3,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2,2-difluoro-3-hydroxypropyl)-3,6-dimethylbenzenesulfonamide
PubChem CID106165700
Molecular FormulaC11H16F2N2O3S
Molecular Weight294.32 g/mol
Exact Mass294.08
IUPAC Name2-amino-N-(2,2-difluoro-3-hydroxypropyl)-3,6-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCC(F)(F)CO)c1N
InChIInChI=1S/C11H16F2N2O3S/c1-7-3-4-8(2)10(9(7)14)19(17,18)15-5-11(12,13)6-16/h3-4,15-16H,5-6,14H2,1-2H3
InChIKeyUIYAWEZDCSOIQJ-UHFFFAOYSA-N
XLogP0.79
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-difluoro-3-hydroxypropyl)-3,6-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(2,2-difluoro-3-hydroxypropyl)-3,6-dimethylbenzenesulfonamide (CID 106165700) is 2-amino-N-(2,2-difluoro-3-hydroxypropyl)-3,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2,2-difluoro-3-hydroxypropyl)-3,6-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(2,2-difluoro-3-hydroxypropyl)-3,6-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCC(F)(F)CO)c1N.
What is the InChIKey of 2-amino-N-(2,2-difluoro-3-hydroxypropyl)-3,6-dimethylbenzenesulfonamide?
The InChIKey is UIYAWEZDCSOIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O3S/c1-7-3-4-8(2)10(9(7)14)19(17,18)15-5-11(12,13)6-16/h3-4,15-16H,5-6,14H2,1-2H3.
What are the key properties of 2-amino-N-(2,2-difluoro-3-hydroxypropyl)-3,6-dimethylbenzenesulfonamide?
2-amino-N-(2,2-difluoro-3-hydroxypropyl)-3,6-dimethylbenzenesulfonamide has a molecular weight of 294.32 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-difluoro-3-hydroxypropyl)-3,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 106165700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).