2-amino-N-[2-(dimethylamino)propyl]-6-fluoro-4-nitrobenzenesulfonamide

C11H17FN4O4S — CID 62158104

IUPAC2-amino-N-[2-(dimethylamino)propyl]-6-fluoro-4-nitrobenzenesulfonamide
SMILESCC(CNS(=O)(=O)c1c(N)cc([N+](=O)[O-])cc1F)N(C)C
InChIInChI=1S/C11H17FN4O4S/c1-7(15(2)3)6-14-21(19,20)11-9(12)4-8(16(17)18)5-10(11)13/h4-5,7,14H,6,13H2,1-3H3
InChIKeyYSAAGHPOGMTMGR-UHFFFAOYSA-N
MW320.35 g/mol
LogP0.54
Rot. Bonds6

About 2-amino-N-[2-(dimethylamino)propyl]-6-fluoro-4-nitrobenzenesulfonamide

2-amino-N-[2-(dimethylamino)propyl]-6-fluoro-4-nitrobenzenesulfonamide (PubChem CID 62158104) has the molecular formula C11H17FN4O4S and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)propyl]-6-fluoro-4-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)propyl]-6-fluoro-4-nitrobenzenesulfonamide
PubChem CID62158104
Molecular FormulaC11H17FN4O4S
Molecular Weight320.35 g/mol
Exact Mass320.10
IUPAC Name2-amino-N-[2-(dimethylamino)propyl]-6-fluoro-4-nitrobenzenesulfonamide
SMILESCC(CNS(=O)(=O)c1c(N)cc([N+](=O)[O-])cc1F)N(C)C
InChIInChI=1S/C11H17FN4O4S/c1-7(15(2)3)6-14-21(19,20)11-9(12)4-8(16(17)18)5-10(11)13/h4-5,7,14H,6,13H2,1-3H3
InChIKeyYSAAGHPOGMTMGR-UHFFFAOYSA-N
XLogP0.54
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-ethoxyethyl)-6-fluoro-4-nitrobenzenesulfonamide
CID 62164203
2-amino-6-fluoro-N-(4-methylpentan-2-yl)-4-nitrobenzenesulfonamide
CID 62146404
2-amino-6-fluoro-N,N-dimethyl-4-nitrobenzenesulfonamide
CID 62151022
2-fluoro-6-hydrazinyl-N-(2-methylbutyl)-4-nitrobenzenesulfonamide
CID 62692698
N-[2-(dimethylamino)propyl]-3-fluoro-4-nitrobenzenesulfonamide
CID 82844132
2-[(2-amino-6-fluoro-4-nitrophenyl)sulfonylamino]-N-methylpropanamide
CID 62159409
2-amino-N-cyclobutyl-6-fluoro-4-nitrobenzenesulfonamide
CID 62415034
2-amino-4,6-dichloro-N-[2-(dimethylamino)propyl]benzenesulfonamide
CID 61126235
2-amino-6-fluoro-4-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106407846
2-N-[2-(dimethylamino)ethyl]-2-N-ethyl-3-fluoro-5-nitrobenzene-1,2-diamine
CID 166477825
2-amino-5-bromo-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide
CID 106491580
5-amino-2-chloro-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide
CID 61127828

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)propyl]-6-fluoro-4-nitrobenzenesulfonamide?
The IUPAC name of 2-amino-N-[2-(dimethylamino)propyl]-6-fluoro-4-nitrobenzenesulfonamide (CID 62158104) is 2-amino-N-[2-(dimethylamino)propyl]-6-fluoro-4-nitrobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)propyl]-6-fluoro-4-nitrobenzenesulfonamide?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)propyl]-6-fluoro-4-nitrobenzenesulfonamide is CC(CNS(=O)(=O)c1c(N)cc([N+](=O)[O-])cc1F)N(C)C.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)propyl]-6-fluoro-4-nitrobenzenesulfonamide?
The InChIKey is YSAAGHPOGMTMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O4S/c1-7(15(2)3)6-14-21(19,20)11-9(12)4-8(16(17)18)5-10(11)13/h4-5,7,14H,6,13H2,1-3H3.
What are the key properties of 2-amino-N-[2-(dimethylamino)propyl]-6-fluoro-4-nitrobenzenesulfonamide?
2-amino-N-[2-(dimethylamino)propyl]-6-fluoro-4-nitrobenzenesulfonamide has a molecular weight of 320.35 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)propyl]-6-fluoro-4-nitrobenzenesulfonamide is sourced from PubChem (CID 62158104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).