2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-methylbenzenesulfonamide

C11H16F2N2O3S — CID 107478046

IUPAC2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-methylbenzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)N(CCO)CC(F)F
InChIInChI=1S/C11H16F2N2O3S/c1-8-3-2-4-9(14)11(8)19(17,18)15(5-6-16)7-10(12)13/h2-4,10,16H,5-7,14H2,1H3
InChIKeyXJTLRULDUHQAKY-UHFFFAOYSA-N
MW294.32 g/mol
LogP0.83
Rot. Bonds6

About 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-methylbenzenesulfonamide

2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-methylbenzenesulfonamide (PubChem CID 107478046) has the molecular formula C11H16F2N2O3S and a molecular weight of 294.32 g/mol. Its IUPAC name is 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-methylbenzenesulfonamide
PubChem CID107478046
Molecular FormulaC11H16F2N2O3S
Molecular Weight294.32 g/mol
Exact Mass294.08
IUPAC Name2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-methylbenzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)N(CCO)CC(F)F
InChIInChI=1S/C11H16F2N2O3S/c1-8-3-2-4-9(14)11(8)19(17,18)15(5-6-16)7-10(12)13/h2-4,10,16H,5-7,14H2,1H3
InChIKeyXJTLRULDUHQAKY-UHFFFAOYSA-N
XLogP0.83
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 50.83
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 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-methylbenzenesulfonamide (CID 107478046) is 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-methylbenzenesulfonamide is Cc1cccc(N)c1S(=O)(=O)N(CCO)CC(F)F.
What is the InChIKey of 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-methylbenzenesulfonamide?
The InChIKey is XJTLRULDUHQAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O3S/c1-8-3-2-4-9(14)11(8)19(17,18)15(5-6-16)7-10(12)13/h2-4,10,16H,5-7,14H2,1H3.
What are the key properties of 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-methylbenzenesulfonamide?
2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-methylbenzenesulfonamide has a molecular weight of 294.32 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-methylbenzenesulfonamide is sourced from PubChem (CID 107478046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).