6-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,3-dimethylbenzenesulfonamide

C12H18F2N2O3S — CID 107478072

IUPAC6-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,3-dimethylbenzenesulfonamide
SMILESCc1ccc(N)c(S(=O)(=O)N(CCO)CC(F)F)c1C
InChIInChI=1S/C12H18F2N2O3S/c1-8-3-4-10(15)12(9(8)2)20(18,19)16(5-6-17)7-11(13)14/h3-4,11,17H,5-7,15H2,1-2H3
InChIKeyWPYCBASCCZTCDM-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.13
Rot. Bonds6

About 6-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,3-dimethylbenzenesulfonamide

6-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,3-dimethylbenzenesulfonamide (PubChem CID 107478072) has the molecular formula C12H18F2N2O3S and a molecular weight of 308.35 g/mol. Its IUPAC name is 6-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name6-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,3-dimethylbenzenesulfonamide
PubChem CID107478072
Molecular FormulaC12H18F2N2O3S
Molecular Weight308.35 g/mol
Exact Mass308.10
IUPAC Name6-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,3-dimethylbenzenesulfonamide
SMILESCc1ccc(N)c(S(=O)(=O)N(CCO)CC(F)F)c1C
InChIInChI=1S/C12H18F2N2O3S/c1-8-3-4-10(15)12(9(8)2)20(18,19)16(5-6-17)7-11(13)14/h3-4,11,17H,5-7,15H2,1-2H3
InChIKeyWPYCBASCCZTCDM-UHFFFAOYSA-N
XLogP1.13
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.13
H-Bond Donors ≤ 52
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 6-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 6-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,3-dimethylbenzenesulfonamide (CID 107478072) is 6-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 6-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 6-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,3-dimethylbenzenesulfonamide is Cc1ccc(N)c(S(=O)(=O)N(CCO)CC(F)F)c1C.
What is the InChIKey of 6-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,3-dimethylbenzenesulfonamide?
The InChIKey is WPYCBASCCZTCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O3S/c1-8-3-4-10(15)12(9(8)2)20(18,19)16(5-6-17)7-11(13)14/h3-4,11,17H,5-7,15H2,1-2H3.
What are the key properties of 6-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,3-dimethylbenzenesulfonamide?
6-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,3-dimethylbenzenesulfonamide has a molecular weight of 308.35 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 107478072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).