2-amino-N-(2-ethoxyethyl)-6-fluoro-4-nitrobenzenesulfonamide

C10H14FN3O5S — CID 62164203

IUPAC2-amino-N-(2-ethoxyethyl)-6-fluoro-4-nitrobenzenesulfonamide
SMILESCCOCCNS(=O)(=O)c1c(N)cc([N+](=O)[O-])cc1F
InChIInChI=1S/C10H14FN3O5S/c1-2-19-4-3-13-20(17,18)10-8(11)5-7(14(15)16)6-9(10)12/h5-6,13H,2-4,12H2,1H3
InChIKeyACJYFTBZPVEDDN-UHFFFAOYSA-N
MW307.30 g/mol
LogP0.63
Rot. Bonds7

About 2-amino-N-(2-ethoxyethyl)-6-fluoro-4-nitrobenzenesulfonamide

2-amino-N-(2-ethoxyethyl)-6-fluoro-4-nitrobenzenesulfonamide (PubChem CID 62164203) has the molecular formula C10H14FN3O5S and a molecular weight of 307.30 g/mol. Its IUPAC name is 2-amino-N-(2-ethoxyethyl)-6-fluoro-4-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-ethoxyethyl)-6-fluoro-4-nitrobenzenesulfonamide
PubChem CID62164203
Molecular FormulaC10H14FN3O5S
Molecular Weight307.30 g/mol
Exact Mass307.06
IUPAC Name2-amino-N-(2-ethoxyethyl)-6-fluoro-4-nitrobenzenesulfonamide
SMILESCCOCCNS(=O)(=O)c1c(N)cc([N+](=O)[O-])cc1F
InChIInChI=1S/C10H14FN3O5S/c1-2-19-4-3-13-20(17,18)10-8(11)5-7(14(15)16)6-9(10)12/h5-6,13H,2-4,12H2,1H3
InChIKeyACJYFTBZPVEDDN-UHFFFAOYSA-N
XLogP0.63
TPSA124.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[2-(dimethylamino)propyl]-6-fluoro-4-nitrobenzenesulfonamide
CID 62158104
2-amino-6-fluoro-N-(4-methylpentan-2-yl)-4-nitrobenzenesulfonamide
CID 62146404
2-fluoro-6-hydrazinyl-4-nitro-N-pentylbenzenesulfonamide
CID 60985877
2-amino-6-fluoro-4-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106407846
3-amino-N-(2-ethoxyethyl)-2-nitrobenzenesulfonamide
CID 112675241
2-amino-6-fluoro-N,N-dimethyl-4-nitrobenzenesulfonamide
CID 62151022
2-amino-N-cyclobutyl-6-fluoro-4-nitrobenzenesulfonamide
CID 62415034
4-amino-2,6-dichloro-N-(2-ethoxyethyl)benzenesulfonamide
CID 43590962
N-(2-ethoxyethyl)-2-fluoro-4-nitroaniline
CID 43591241
2-[(2-amino-6-fluoro-4-nitrophenyl)sulfonylamino]-N-methylpropanamide
CID 62159409
N-(2-ethoxyethyl)-3-methyl-5-nitroaniline
CID 112648993
2-amino-6-fluoro-N-(1H-imidazol-2-yl)-4-nitrobenzenesulfonamide
CID 63564716

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethoxyethyl)-6-fluoro-4-nitrobenzenesulfonamide?
The IUPAC name of 2-amino-N-(2-ethoxyethyl)-6-fluoro-4-nitrobenzenesulfonamide (CID 62164203) is 2-amino-N-(2-ethoxyethyl)-6-fluoro-4-nitrobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2-ethoxyethyl)-6-fluoro-4-nitrobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(2-ethoxyethyl)-6-fluoro-4-nitrobenzenesulfonamide is CCOCCNS(=O)(=O)c1c(N)cc([N+](=O)[O-])cc1F.
What is the InChIKey of 2-amino-N-(2-ethoxyethyl)-6-fluoro-4-nitrobenzenesulfonamide?
The InChIKey is ACJYFTBZPVEDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O5S/c1-2-19-4-3-13-20(17,18)10-8(11)5-7(14(15)16)6-9(10)12/h5-6,13H,2-4,12H2,1H3.
What are the key properties of 2-amino-N-(2-ethoxyethyl)-6-fluoro-4-nitrobenzenesulfonamide?
2-amino-N-(2-ethoxyethyl)-6-fluoro-4-nitrobenzenesulfonamide has a molecular weight of 307.30 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethoxyethyl)-6-fluoro-4-nitrobenzenesulfonamide is sourced from PubChem (CID 62164203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).