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

C10H14F2N2O3S — CID 113303848

IUPAC5-amino-N-(2,2-difluoroethyl)-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(N)cc1S(=O)(=O)NCC(F)F
InChIInChI=1S/C10H14F2N2O3S/c1-2-17-8-4-3-7(13)5-9(8)18(15,16)14-6-10(11)12/h3-5,10,14H,2,6,13H2,1H3
InChIKeyURZTXMTYVCKZHT-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.21
Rot. Bonds6

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

5-amino-N-(2,2-difluoroethyl)-2-ethoxybenzenesulfonamide (PubChem CID 113303848) has the molecular formula C10H14F2N2O3S and a molecular weight of 280.30 g/mol. Its IUPAC name is 5-amino-N-(2,2-difluoroethyl)-2-ethoxybenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(2,2-difluoroethyl)-2-ethoxybenzenesulfonamide
PubChem CID113303848
Molecular FormulaC10H14F2N2O3S
Molecular Weight280.30 g/mol
Exact Mass280.07
IUPAC Name5-amino-N-(2,2-difluoroethyl)-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(N)cc1S(=O)(=O)NCC(F)F
InChIInChI=1S/C10H14F2N2O3S/c1-2-17-8-4-3-7(13)5-9(8)18(15,16)14-6-10(11)12/h3-5,10,14H,2,6,13H2,1H3
InChIKeyURZTXMTYVCKZHT-UHFFFAOYSA-N
XLogP1.21
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2,2-difluoroethyl)-2-ethylbenzenesulfonamide
CID 113303506
5-amino-N-butyl-2-ethoxybenzenesulfonamide
CID 43662916
5-amino-2-ethoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104762819
4-amino-N-(2,2-difluoroethyl)-2-methoxybenzenesulfonamide
CID 113303531
5-amino-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide
CID 43662895
5-amino-2-ethoxy-N-(3-ethylpentan-2-yl)benzenesulfonamide
CID 63836966
5-amino-2-ethoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63831793
5-amino-2-ethoxy-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 43662989
5-amino-2-ethoxy-N-hexan-3-ylbenzenesulfonamide
CID 62118600
5-amino-N-(1-cyclopropylethyl)-2-ethoxybenzenesulfonamide
CID 43662995
5-amino-2-ethoxy-N-pent-1-yn-3-ylbenzenesulfonamide
CID 106231931
5-amino-N-(3-bromophenyl)-2-ethoxybenzenesulfonamide
CID 43662937

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,2-difluoroethyl)-2-ethoxybenzenesulfonamide?
The IUPAC name of 5-amino-N-(2,2-difluoroethyl)-2-ethoxybenzenesulfonamide (CID 113303848) is 5-amino-N-(2,2-difluoroethyl)-2-ethoxybenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(2,2-difluoroethyl)-2-ethoxybenzenesulfonamide?
The canonical SMILES for 5-amino-N-(2,2-difluoroethyl)-2-ethoxybenzenesulfonamide is CCOc1ccc(N)cc1S(=O)(=O)NCC(F)F.
What is the InChIKey of 5-amino-N-(2,2-difluoroethyl)-2-ethoxybenzenesulfonamide?
The InChIKey is URZTXMTYVCKZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O3S/c1-2-17-8-4-3-7(13)5-9(8)18(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-ethoxybenzenesulfonamide?
5-amino-N-(2,2-difluoroethyl)-2-ethoxybenzenesulfonamide has a molecular weight of 280.30 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,2-difluoroethyl)-2-ethoxybenzenesulfonamide is sourced from PubChem (CID 113303848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).