2-amino-N-[2-(dimethylamino)ethyl]-5-fluorobenzenesulfonamide

C10H16FN3O2S — CID 54888461

IUPAC2-amino-N-[2-(dimethylamino)ethyl]-5-fluorobenzenesulfonamide
SMILESCN(C)CCNS(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C10H16FN3O2S/c1-14(2)6-5-13-17(15,16)10-7-8(11)3-4-9(10)12/h3-4,7,13H,5-6,12H2,1-2H3
InChIKeyKCUWBTYJWQPUHE-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.25
Rot. Bonds5

About 2-amino-N-[2-(dimethylamino)ethyl]-5-fluorobenzenesulfonamide

2-amino-N-[2-(dimethylamino)ethyl]-5-fluorobenzenesulfonamide (PubChem CID 54888461) has the molecular formula C10H16FN3O2S and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)ethyl]-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)ethyl]-5-fluorobenzenesulfonamide
PubChem CID54888461
Molecular FormulaC10H16FN3O2S
Molecular Weight261.32 g/mol
Exact Mass261.09
IUPAC Name2-amino-N-[2-(dimethylamino)ethyl]-5-fluorobenzenesulfonamide
SMILESCN(C)CCNS(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C10H16FN3O2S/c1-14(2)6-5-13-17(15,16)10-7-8(11)3-4-9(10)12/h3-4,7,13H,5-6,12H2,1-2H3
InChIKeyKCUWBTYJWQPUHE-UHFFFAOYSA-N
XLogP0.25
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.25
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

2-amino-5-fluoro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333204
2-amino-5-bromo-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 54888653
2-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-methylbenzenesulfonamide
CID 55226364
2-amino-5-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 60985914
2-amino-N-(2-butoxyethyl)-5-fluorobenzenesulfonamide
CID 61171428
2-amino-N-[3-(dimethylamino)propyl]-5-methylsulfonylbenzenesulfonamide
CID 62145409
tert-butyl N-[2-[(2-amino-5-fluorophenyl)sulfonylamino]ethyl]carbamate
CID 104932760
4-bromo-N-[2-(dimethylamino)ethyl]-2-fluorobenzenesulfonamide
CID 86796943
2-amino-5-fluoro-N-(2-phenylsulfanylethyl)benzenesulfonamide
CID 61113825
2-amino-5-fluoro-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 61474979
2-amino-N-[3-(dimethylamino)propyl]-5-nitrobenzenesulfonamide
CID 23322298
5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]furan-3-sulfonamide
CID 114138879

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)ethyl]-5-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-N-[2-(dimethylamino)ethyl]-5-fluorobenzenesulfonamide (CID 54888461) is 2-amino-N-[2-(dimethylamino)ethyl]-5-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)ethyl]-5-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)ethyl]-5-fluorobenzenesulfonamide is CN(C)CCNS(=O)(=O)c1cc(F)ccc1N.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)ethyl]-5-fluorobenzenesulfonamide?
The InChIKey is KCUWBTYJWQPUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O2S/c1-14(2)6-5-13-17(15,16)10-7-8(11)3-4-9(10)12/h3-4,7,13H,5-6,12H2,1-2H3.
What are the key properties of 2-amino-N-[2-(dimethylamino)ethyl]-5-fluorobenzenesulfonamide?
2-amino-N-[2-(dimethylamino)ethyl]-5-fluorobenzenesulfonamide has a molecular weight of 261.32 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)ethyl]-5-fluorobenzenesulfonamide is sourced from PubChem (CID 54888461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).