2-amino-N-cyclobutyl-6-fluoro-4-nitrobenzenesulfonamide

C10H12FN3O4S — CID 62415034

IUPAC2-amino-N-cyclobutyl-6-fluoro-4-nitrobenzenesulfonamide
SMILESNc1cc([N+](=O)[O-])cc(F)c1S(=O)(=O)NC1CCC1
InChIInChI=1S/C10H12FN3O4S/c11-8-4-7(14(15)16)5-9(12)10(8)19(17,18)13-6-2-1-3-6/h4-6,13H,1-3,12H2
InChIKeyMNUYRSNEPXLPLT-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.15
Rot. Bonds4

About 2-amino-N-cyclobutyl-6-fluoro-4-nitrobenzenesulfonamide

2-amino-N-cyclobutyl-6-fluoro-4-nitrobenzenesulfonamide (PubChem CID 62415034) has the molecular formula C10H12FN3O4S and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-amino-N-cyclobutyl-6-fluoro-4-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-cyclobutyl-6-fluoro-4-nitrobenzenesulfonamide
PubChem CID62415034
Molecular FormulaC10H12FN3O4S
Molecular Weight289.29 g/mol
Exact Mass289.05
IUPAC Name2-amino-N-cyclobutyl-6-fluoro-4-nitrobenzenesulfonamide
SMILESNc1cc([N+](=O)[O-])cc(F)c1S(=O)(=O)NC1CCC1
InChIInChI=1S/C10H12FN3O4S/c11-8-4-7(14(15)16)5-9(12)10(8)19(17,18)13-6-2-1-3-6/h4-6,13H,1-3,12H2
InChIKeyMNUYRSNEPXLPLT-UHFFFAOYSA-N
XLogP1.15
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.15
H-Bond Donors ≤ 52
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-(azepan-1-ylsulfonyl)-3-fluoro-5-nitroaniline
CID 62149876
2-amino-6-fluoro-N-(1H-imidazol-2-yl)-4-nitrobenzenesulfonamide
CID 63564716
2-fluoro-6-hydrazinyl-4-nitro-N-(oxolan-3-yl)benzenesulfonamide
CID 80712583
2-amino-N-[2-(dimethylamino)propyl]-6-fluoro-4-nitrobenzenesulfonamide
CID 62158104
N-cyclopropyl-2-fluoro-4-nitrobenzenesulfonamide
CID 61060866
2-amino-6-fluoro-N-(4-methylpentan-2-yl)-4-nitrobenzenesulfonamide
CID 62146404
2-amino-6-fluoro-N,N-dimethyl-4-nitrobenzenesulfonamide
CID 62151022
[1-(2-amino-6-fluoro-4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 62158489
2-amino-6-fluoro-4-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106407846
2-amino-N-(2-ethoxyethyl)-6-fluoro-4-nitrobenzenesulfonamide
CID 62164203
2-[(2-amino-6-fluoro-4-nitrophenyl)sulfonylamino]-N-methylpropanamide
CID 62159409
2-amino-N-(3-methylcyclohexyl)-5-nitrobenzenesulfonamide
CID 62146579

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclobutyl-6-fluoro-4-nitrobenzenesulfonamide?
The IUPAC name of 2-amino-N-cyclobutyl-6-fluoro-4-nitrobenzenesulfonamide (CID 62415034) is 2-amino-N-cyclobutyl-6-fluoro-4-nitrobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-cyclobutyl-6-fluoro-4-nitrobenzenesulfonamide?
The canonical SMILES for 2-amino-N-cyclobutyl-6-fluoro-4-nitrobenzenesulfonamide is Nc1cc([N+](=O)[O-])cc(F)c1S(=O)(=O)NC1CCC1.
What is the InChIKey of 2-amino-N-cyclobutyl-6-fluoro-4-nitrobenzenesulfonamide?
The InChIKey is MNUYRSNEPXLPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O4S/c11-8-4-7(14(15)16)5-9(12)10(8)19(17,18)13-6-2-1-3-6/h4-6,13H,1-3,12H2.
What are the key properties of 2-amino-N-cyclobutyl-6-fluoro-4-nitrobenzenesulfonamide?
2-amino-N-cyclobutyl-6-fluoro-4-nitrobenzenesulfonamide has a molecular weight of 289.29 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclobutyl-6-fluoro-4-nitrobenzenesulfonamide is sourced from PubChem (CID 62415034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).