5-amino-N-(2,2-difluoroethyl)-2-ethylbenzenesulfonamide

C10H14F2N2O2S — CID 113303506

IUPAC5-amino-N-(2,2-difluoroethyl)-2-ethylbenzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)NCC(F)F
InChIInChI=1S/C10H14F2N2O2S/c1-2-7-3-4-8(13)5-9(7)17(15,16)14-6-10(11)12/h3-5,10,14H,2,6,13H2,1H3
InChIKeyFCPPTQJMAFIAOI-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.37
Rot. Bonds5

About 5-amino-N-(2,2-difluoroethyl)-2-ethylbenzenesulfonamide

5-amino-N-(2,2-difluoroethyl)-2-ethylbenzenesulfonamide (PubChem CID 113303506) has the molecular formula C10H14F2N2O2S and a molecular weight of 264.30 g/mol. Its IUPAC name is 5-amino-N-(2,2-difluoroethyl)-2-ethylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(2,2-difluoroethyl)-2-ethylbenzenesulfonamide
PubChem CID113303506
Molecular FormulaC10H14F2N2O2S
Molecular Weight264.30 g/mol
Exact Mass264.07
IUPAC Name5-amino-N-(2,2-difluoroethyl)-2-ethylbenzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)NCC(F)F
InChIInChI=1S/C10H14F2N2O2S/c1-2-7-3-4-8(13)5-9(7)17(15,16)14-6-10(11)12/h3-5,10,14H,2,6,13H2,1H3
InChIKeyFCPPTQJMAFIAOI-UHFFFAOYSA-N
XLogP1.37
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2,2-difluoroethyl)-2-ethoxybenzenesulfonamide
CID 113303848
N-(2,2-difluoroethyl)-2-ethyl-5-(ethylaminomethyl)benzenesulfonamide
CID 115409199
4-amino-N-(2,2-difluoroethyl)-2-methoxybenzenesulfonamide
CID 113303531
N-(2,2-difluoroethyl)-2-ethyl-5-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 115409231
5-amino-2-ethyl-N-pentan-3-ylbenzenesulfonamide
CID 43255687
5-amino-2-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114615046
2-[(5-amino-2-ethylphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 43567663
5-amino-2-ethyl-N-(3-methylbut-2-enyl)benzenesulfonamide
CID 114154840
5-amino-N-[2-(diethylamino)ethyl]-2-ethylbenzenesulfonamide
CID 43255855
5-amino-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106006826
5-amino-2-ethyl-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63821839
5-amino-2-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 43256679

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,2-difluoroethyl)-2-ethylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(2,2-difluoroethyl)-2-ethylbenzenesulfonamide (CID 113303506) is 5-amino-N-(2,2-difluoroethyl)-2-ethylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(2,2-difluoroethyl)-2-ethylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(2,2-difluoroethyl)-2-ethylbenzenesulfonamide is CCc1ccc(N)cc1S(=O)(=O)NCC(F)F.
What is the InChIKey of 5-amino-N-(2,2-difluoroethyl)-2-ethylbenzenesulfonamide?
The InChIKey is FCPPTQJMAFIAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2S/c1-2-7-3-4-8(13)5-9(7)17(15,16)14-6-10(11)12/h3-5,10,14H,2,6,13H2,1H3.
What are the key properties of 5-amino-N-(2,2-difluoroethyl)-2-ethylbenzenesulfonamide?
5-amino-N-(2,2-difluoroethyl)-2-ethylbenzenesulfonamide has a molecular weight of 264.30 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,2-difluoroethyl)-2-ethylbenzenesulfonamide is sourced from PubChem (CID 113303506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).