2-amino-6-fluoro-N,N-dimethyl-4-nitrobenzenesulfonamide

C8H10FN3O4S — CID 62151022

IUPAC2-amino-6-fluoro-N,N-dimethyl-4-nitrobenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1c(N)cc([N+](=O)[O-])cc1F
InChIInChI=1S/C8H10FN3O4S/c1-11(2)17(15,16)8-6(9)3-5(12(13)14)4-7(8)10/h3-4H,10H2,1-2H3
InChIKeyUSROYJWTDJZJCP-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.57
Rot. Bonds3

About 2-amino-6-fluoro-N,N-dimethyl-4-nitrobenzenesulfonamide

2-amino-6-fluoro-N,N-dimethyl-4-nitrobenzenesulfonamide (PubChem CID 62151022) has the molecular formula C8H10FN3O4S and a molecular weight of 263.25 g/mol. Its IUPAC name is 2-amino-6-fluoro-N,N-dimethyl-4-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N,N-dimethyl-4-nitrobenzenesulfonamide
PubChem CID62151022
Molecular FormulaC8H10FN3O4S
Molecular Weight263.25 g/mol
Exact Mass263.04
IUPAC Name2-amino-6-fluoro-N,N-dimethyl-4-nitrobenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1c(N)cc([N+](=O)[O-])cc1F
InChIInChI=1S/C8H10FN3O4S/c1-11(2)17(15,16)8-6(9)3-5(12(13)14)4-7(8)10/h3-4H,10H2,1-2H3
InChIKeyUSROYJWTDJZJCP-UHFFFAOYSA-N
XLogP0.57
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-(azepan-1-ylsulfonyl)-3-fluoro-5-nitroaniline
CID 62149876
4-amino-2,6-difluoro-N,N-dimethylbenzenesulfonamide
CID 60984863
2-amino-6-fluoro-N-(4-methylpentan-2-yl)-4-nitrobenzenesulfonamide
CID 62146404
2-N-[2-(dimethylamino)ethyl]-2-N-ethyl-3-fluoro-5-nitrobenzene-1,2-diamine
CID 166477825
2-amino-N-cyclobutyl-6-fluoro-4-nitrobenzenesulfonamide
CID 62415034
2-[(2-amino-6-fluoro-4-nitrophenyl)sulfonylamino]-N-methylpropanamide
CID 62159409
2-amino-N-(2-ethoxyethyl)-6-fluoro-4-nitrobenzenesulfonamide
CID 62164203
2-amino-6-methyl-4-nitrobenzenesulfonamide
CID 142791442
2-amino-6-fluoro-N-(1H-imidazol-2-yl)-4-nitrobenzenesulfonamide
CID 63564716
N-butyl-2-fluoro-6-hydrazinyl-N-methyl-4-nitrobenzenesulfonamide
CID 60985894
2-fluoro-6-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-4-nitrobenzenesulfonamide
CID 62335849

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N,N-dimethyl-4-nitrobenzenesulfonamide?
The IUPAC name of 2-amino-6-fluoro-N,N-dimethyl-4-nitrobenzenesulfonamide (CID 62151022) is 2-amino-6-fluoro-N,N-dimethyl-4-nitrobenzenesulfonamide.
What is the SMILES notation for 2-amino-6-fluoro-N,N-dimethyl-4-nitrobenzenesulfonamide?
The canonical SMILES for 2-amino-6-fluoro-N,N-dimethyl-4-nitrobenzenesulfonamide is CN(C)S(=O)(=O)c1c(N)cc([N+](=O)[O-])cc1F.
What is the InChIKey of 2-amino-6-fluoro-N,N-dimethyl-4-nitrobenzenesulfonamide?
The InChIKey is USROYJWTDJZJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O4S/c1-11(2)17(15,16)8-6(9)3-5(12(13)14)4-7(8)10/h3-4H,10H2,1-2H3.
What are the key properties of 2-amino-6-fluoro-N,N-dimethyl-4-nitrobenzenesulfonamide?
2-amino-6-fluoro-N,N-dimethyl-4-nitrobenzenesulfonamide has a molecular weight of 263.25 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N,N-dimethyl-4-nitrobenzenesulfonamide is sourced from PubChem (CID 62151022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).