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

C10H14F2N2O2S — CID 103171685

IUPAC2-amino-N-(2,2-difluoroethyl)-3,6-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCC(F)F)c1N
InChIInChI=1S/C10H14F2N2O2S/c1-6-3-4-7(2)10(9(6)13)17(15,16)14-5-8(11)12/h3-4,8,14H,5,13H2,1-2H3
InChIKeyBZIGKKRMUBGROP-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.43
Rot. Bonds4

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

2-amino-N-(2,2-difluoroethyl)-3,6-dimethylbenzenesulfonamide (PubChem CID 103171685) has the molecular formula C10H14F2N2O2S and a molecular weight of 264.30 g/mol. Its IUPAC name is 2-amino-N-(2,2-difluoroethyl)-3,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2,2-difluoroethyl)-3,6-dimethylbenzenesulfonamide
PubChem CID103171685
Molecular FormulaC10H14F2N2O2S
Molecular Weight264.30 g/mol
Exact Mass264.07
IUPAC Name2-amino-N-(2,2-difluoroethyl)-3,6-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCC(F)F)c1N
InChIInChI=1S/C10H14F2N2O2S/c1-6-3-4-7(2)10(9(6)13)17(15,16)14-5-8(11)12/h3-4,8,14H,5,13H2,1-2H3
InChIKeyBZIGKKRMUBGROP-UHFFFAOYSA-N
XLogP1.43
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-3,6-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(2,2-difluoroethyl)-3,6-dimethylbenzenesulfonamide (CID 103171685) is 2-amino-N-(2,2-difluoroethyl)-3,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2,2-difluoroethyl)-3,6-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(2,2-difluoroethyl)-3,6-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCC(F)F)c1N.
What is the InChIKey of 2-amino-N-(2,2-difluoroethyl)-3,6-dimethylbenzenesulfonamide?
The InChIKey is BZIGKKRMUBGROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2S/c1-6-3-4-7(2)10(9(6)13)17(15,16)14-5-8(11)12/h3-4,8,14H,5,13H2,1-2H3.
What are the key properties of 2-amino-N-(2,2-difluoroethyl)-3,6-dimethylbenzenesulfonamide?
2-amino-N-(2,2-difluoroethyl)-3,6-dimethylbenzenesulfonamide has a molecular weight of 264.30 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-difluoroethyl)-3,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 103171685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).